CID 77614

1-(aminomethyl)cyclohexanol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CCC(CC1)(CN)O
InChI
InChI=1S/C7H15NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-6,8H2
InChIKey
XUSXTHMTOSFZII-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1144
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.6
[M+Na]+ 152.10459 133.4
[M-H]- 128.10809 129.8
[M+NH4]+ 147.14919 151.2
[M+K]+ 168.07853 132.1
[M+H-H2O]+ 112.11263 124.1
[M+HCOO]- 174.11357 148.6
[M+CH3COO]- 188.12922 169.4
[M+Na-2H]- 150.09004 134.7
[M]+ 129.11482 121.6
[M]- 129.11592 121.6
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

patents stripe