CID 117175

2-methylcyclohexane-1,3-diamine

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1C(CCCC1N)N
InChI
InChI=1S/C7H16N2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4,8-9H2,1H3
InChIKey
KHBBRIBQJGWUOW-UHFFFAOYSA-N
Compound name
2-methylcyclohexane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3240
Patents

128.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 127.5
[M+Na]+ 151.12057 136.7
[M+NH4]+ 146.16517 136.6
[M+K]+ 167.09451 131.4
[M-H]- 127.12407 130.7
[M+Na-2H]- 149.10602 132.1
[M]+ 128.13080 129.4
[M]- 128.13190 129.4
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