CID 209611

20041-47-8

Structural Information

Molecular Formula
C16H33NO2
SMILES
CC1CCC(C(C1)OCC(CNC(C)C)O)C(C)C
InChI
InChI=1S/C16H33NO2/c1-11(2)15-7-6-13(5)8-16(15)19-10-14(18)9-17-12(3)4/h11-18H,6-10H2,1-5H3
InChIKey
IXLSSBPTUXEGSB-UHFFFAOYSA-N
Compound name
1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

271.25113 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.25841 172.1
[M+Na]+ 294.24035 173.2
[M-H]- 270.24385 172.6
[M+NH4]+ 289.28495 187.5
[M+K]+ 310.21429 171.9
[M+H-H2O]+ 254.24839 165.7
[M+HCOO]- 316.24933 186.8
[M+CH3COO]- 330.26498 204.9
[M+Na-2H]- 292.22580 168.2
[M]+ 271.25058 169.3
[M]- 271.25168 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe