CID 70631

4-(aminomethyl)cyclohexanemethanol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CC(CCC1CN)CO
InChI
InChI=1S/C8H17NO/c9-5-7-1-3-8(6-10)4-2-7/h7-8,10H,1-6,9H2
InChIKey
WWDKVICMJWBJKJ-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

607
Patents

143.13101 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 132.9
[M+Na]+ 166.12023 137.3
[M-H]- 142.12373 133.9
[M+NH4]+ 161.16483 153.1
[M+K]+ 182.09417 135.5
[M+H-H2O]+ 126.12827 127.6
[M+HCOO]- 188.12921 152.5
[M+CH3COO]- 202.14486 174.1
[M+Na-2H]- 164.10568 136.6
[M]+ 143.13046 126.3
[M]- 143.13156 126.3
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