CID 19703199

(4-methylcyclohexyl)methanamine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1CCC(CC1)CN
InChI
InChI=1S/C8H17N/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6,9H2,1H3
InChIKey
ZMKGMRDHYTYLDH-UHFFFAOYSA-N
Compound name
(4-methylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

478
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

literature stripe

Patent stripe

patents stripe