CID 82648481

[1-(aminomethyl)-4-methylcyclohexyl]methanamine

Structural Information

Molecular Formula
C9H20N2
SMILES
CC1CCC(CC1)(CN)CN
InChI
InChI=1S/C9H20N2/c1-8-2-4-9(6-10,7-11)5-3-8/h8H,2-7,10-11H2,1H3
InChIKey
PMRKXPYJPYTRSF-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-4-methylcyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.16264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 136.5
[M+Na]+ 179.15186 145.0
[M+NH4]+ 174.19646 146.7
[M+K]+ 195.12580 137.4
[M-H]- 155.15536 139.5
[M+Na-2H]- 177.13731 142.4
[M]+ 156.16209 138.4
[M]- 156.16319 138.4
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