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 136.9
[M+Na]+ 179.15186 141.4
[M-H]- 155.15536 138.9
[M+NH4]+ 174.19646 158.8
[M+K]+ 195.12580 139.7
[M+H-H2O]+ 139.15990 131.9
[M+HCOO]- 201.16084 157.9
[M+CH3COO]- 215.17649 181.5
[M+Na-2H]- 177.13731 141.0
[M]+ 156.16209 129.7
[M]- 156.16319 129.7
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