CID 3073289

1-((1-methylethyl)amino)-3-((4,7,7-trimethylbicyclo(4.1.0)hept-3-yl)oxy)-2-propanol

Structural Information

Molecular Formula
C16H31NO2
SMILES
CC1CC2C(C2(C)C)CC1OCC(CNC(C)C)O
InChI
InChI=1S/C16H31NO2/c1-10(2)17-8-12(18)9-19-15-7-14-13(6-11(15)3)16(14,4)5/h10-15,17-18H,6-9H2,1-5H3
InChIKey
LPPPWLNHKNKMEK-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-[(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.24275 164.7
[M+Na]+ 292.22469 170.8
[M-H]- 268.22819 167.9
[M+NH4]+ 287.26929 179.1
[M+K]+ 308.19863 168.1
[M+H-H2O]+ 252.23273 160.1
[M+HCOO]- 314.23367 180.2
[M+CH3COO]- 328.24932 207.0
[M+Na-2H]- 290.21014 165.4
[M]+ 269.23492 167.6
[M]- 269.23602 167.6
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.