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]+ 158.153946 136.9
[M+Na]+ 180.135888 140.8
[M-H]- 156.139394 138.2
[M+NH4]+ 175.180493 156.8
[M+K]+ 196.109828 139.1
[M+H-H2O]+ 140.143930 131.3
[M+HCOO]- 202.144871 156.8
[M+CH3COO]- 216.160521 177.8
[M+Na-2H]- 178.121336 141.1
[M]+ 157.14612142 131.6
[M]- 157.14721858 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.