CID 444569

131288-67-0

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(CC1)C[C@@H](CO)N
InChI
InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1
InChIKey
QWDRYURVUDZKSG-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-cyclohexylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

536
Patents

157.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 138.3
[M+Na]+ 180.13589 141.0
[M-H]- 156.13939 138.7
[M+NH4]+ 175.18049 157.5
[M+K]+ 196.10983 139.4
[M+H-H2O]+ 140.14393 132.5
[M+HCOO]- 202.14487 156.5
[M+CH3COO]- 216.16052 176.8
[M+Na-2H]- 178.12134 140.8
[M]+ 157.14612 130.9
[M]- 157.14722 130.9
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