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

4
Patents

156.16264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 136.9
[M+Na]+ 179.151858 141.4
[M-H]- 155.155364 138.9
[M+NH4]+ 174.196463 158.8
[M+K]+ 195.125798 139.7
[M+H-H2O]+ 139.159900 131.9
[M+HCOO]- 201.160841 157.9
[M+CH3COO]- 215.176491 181.5
[M+Na-2H]- 177.137306 141.0
[M]+ 156.16209142 129.7
[M]- 156.16318858 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