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

219
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 129.2
[M+Na]+ 150.125318 134.0
[M-H]- 126.128824 131.7
[M+NH4]+ 145.169923 150.9
[M+K]+ 166.099258 132.7
[M+H-H2O]+ 110.133360 123.9
[M+HCOO]- 172.134301 150.1
[M+CH3COO]- 186.149951 174.6
[M+Na-2H]- 148.110766 133.5
[M]+ 127.13555142 123.0
[M]- 127.13664858 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