CID 430326

2-(aminomethyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C7H16N2
SMILES
C1CCC(C(C1)CN)N
InChI
InChI=1S/C7H16N2/c8-5-6-3-1-2-4-7(6)9/h6-7H,1-5,8-9H2
InChIKey
ZUYYQGFCSKJGDO-UHFFFAOYSA-N
Compound name
2-(aminomethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

242
Patents

128.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 127.8
[M+Na]+ 151.12057 136.7
[M+NH4]+ 146.16517 136.9
[M+K]+ 167.09451 131.1
[M-H]- 127.12407 131.0
[M+Na-2H]- 149.10602 132.6
[M]+ 128.13080 129.6
[M]- 128.13190 129.6
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