CID 18361468

(3-methylcyclohexyl)methanamine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1CCCC(C1)CN
InChI
InChI=1S/C8H17N/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-6,9H2,1H3
InChIKey
AVBFYDXLBKBKNT-UHFFFAOYSA-N
Compound name
(3-methylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 129.2
[M+Na]+ 150.12532 134.0
[M-H]- 126.12882 131.7
[M+NH4]+ 145.16992 150.9
[M+K]+ 166.09926 132.7
[M+H-H2O]+ 110.13336 123.9
[M+HCOO]- 172.13430 150.1
[M+CH3COO]- 186.14995 174.6
[M+Na-2H]- 148.11077 133.5
[M]+ 127.13555 123.0
[M]- 127.13665 123.0
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