CID 533885

2-(aminomethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CCC(C(C1)CN)O
InChI
InChI=1S/C7H15NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5,8H2
InChIKey
JGKFBZBVCAWDFD-UHFFFAOYSA-N
Compound name
2-(aminomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

362
Patents

129.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.4
[M+Na]+ 152.104588 133.2
[M-H]- 128.108094 129.5
[M+NH4]+ 147.149193 149.2
[M+K]+ 168.078528 131.6
[M+H-H2O]+ 112.112630 123.2
[M+HCOO]- 174.113571 148.3
[M+CH3COO]- 188.129221 171.0
[M+Na-2H]- 150.090036 132.6
[M]+ 129.11482142 121.4
[M]- 129.11591858 121.4
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