CID 43436650

37022-20-1

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1CCCC(C1)(CN)O
InChI
InChI=1S/C8H17NO/c1-7-3-2-4-8(10,5-7)6-9/h7,10H,2-6,9H2,1H3
InChIKey
HCXBYIHIMJUDJQ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 132.5
[M+Na]+ 166.120228 137.9
[M-H]- 142.123734 133.9
[M+NH4]+ 161.164833 154.9
[M+K]+ 182.094168 136.3
[M+H-H2O]+ 126.128270 128.2
[M+HCOO]- 188.129211 152.1
[M+CH3COO]- 202.144861 173.6
[M+Na-2H]- 164.105676 137.4
[M]+ 143.13046142 126.2
[M]- 143.13155858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe