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

3756
Patents

128.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 128.7
[M+Na]+ 151.120568 134.1
[M-H]- 127.124074 131.1
[M+NH4]+ 146.165173 150.0
[M+K]+ 167.094508 132.6
[M+H-H2O]+ 111.128610 123.3
[M+HCOO]- 173.129551 150.2
[M+CH3COO]- 187.145201 177.0
[M+Na-2H]- 149.106016 131.9
[M]+ 128.13080142 120.7
[M]- 128.13189858 120.7
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