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
1
Annotation Hits

0
References

343
Patents

129.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 127.5
[M+Na]+ 152.10459 136.9
[M+NH4]+ 147.14919 136.3
[M+K]+ 168.07853 131.5
[M-H]- 128.10809 129.5
[M+Na-2H]- 150.09004 132.0
[M]+ 129.11482 129.1
[M]- 129.11592 129.1
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

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