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]+ 286.23768 172.3
[M+Na]+ 308.21962 176.0
[M-H]- 284.22312 173.3
[M+NH4]+ 303.26422 191.5
[M+K]+ 324.19356 175.1
[M+H-H2O]+ 268.22766 168.0
[M+HCOO]- 330.22860 185.9
[M+CH3COO]- 344.24425 205.9
[M+Na-2H]- 306.20507 172.4
[M]+ 285.22985 172.9
[M]- 285.23095 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.