CID 3048673

4-(2-methylaminoethyl)cyclohexanol

Structural Information

Molecular Formula
C9H19NO
SMILES
CNCCC1CCC(CC1)O
InChI
InChI=1S/C9H19NO/c1-10-7-6-8-2-4-9(11)5-3-8/h8-11H,2-7H2,1H3
InChIKey
WCPJVPPCOMEVQR-UHFFFAOYSA-N
Compound name
4-[2-(methylamino)ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 136.9
[M+Na]+ 180.13589 140.8
[M-H]- 156.13939 138.2
[M+NH4]+ 175.18049 156.8
[M+K]+ 196.10983 139.1
[M+H-H2O]+ 140.14393 131.3
[M+HCOO]- 202.14487 156.8
[M+CH3COO]- 216.16052 177.8
[M+Na-2H]- 178.12134 141.1
[M]+ 157.14612 131.6
[M]- 157.14722 131.6
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

No patent data available for this compound.