CID 3073288

1-((1-methylethyl)amino)-3-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-2-propanol

Structural Information

Molecular Formula
C16H31NO3
SMILES
CC1C2CC(CC1OCC(CNC(C)C)O)C(O2)(C)C
InChI
InChI=1S/C16H31NO3/c1-10(2)17-8-13(18)9-19-14-6-12-7-15(11(14)3)20-16(12,4)5/h10-15,17-18H,6-9H2,1-5H3
InChIKey
JBOORCDLWUKIRN-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-[(4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2304 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.237676 172.3
[M+Na]+ 308.219618 176.0
[M-H]- 284.223124 173.3
[M+NH4]+ 303.264223 191.5
[M+K]+ 324.193558 175.1
[M+H-H2O]+ 268.227660 168.0
[M+HCOO]- 330.228601 185.9
[M+CH3COO]- 344.244251 205.9
[M+Na-2H]- 306.205066 172.4
[M]+ 285.22985142 172.9
[M]- 285.23094858 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.