CID 71994

[1-(aminomethyl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C8H18N2
SMILES
C1CCC(CC1)(CN)CN
InChI
InChI=1S/C8H18N2/c9-6-8(7-10)4-2-1-3-5-8/h1-7,9-10H2
InChIKey
XZAHJRZBUWYCBM-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10835
Patents

142.147 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 132.7
[M+Na]+ 165.13622 136.7
[M-H]- 141.13972 134.5
[M+NH4]+ 160.18082 154.8
[M+K]+ 181.11016 135.1
[M+H-H2O]+ 125.14426 127.5
[M+HCOO]- 187.14520 154.0
[M+CH3COO]- 201.16085 177.4
[M+Na-2H]- 163.12167 138.0
[M]+ 142.14645 124.7
[M]- 142.14755 124.7
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