CID 3064226

4-methylpentane-1,2-diamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CC(C)CC(CN)N
InChI
InChI=1S/C6H16N2/c1-5(2)3-6(8)4-7/h5-6H,3-4,7-8H2,1-2H3
InChIKey
LGNSOKKCXYBTOL-UHFFFAOYSA-N
Compound name
4-methylpentane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

127
Patents

116.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.138626 129.2
[M+Na]+ 139.120568 134.2
[M-H]- 115.124074 128.5
[M+NH4]+ 134.165173 150.7
[M+K]+ 155.094508 134.2
[M+H-H2O]+ 99.128610 124.1
[M+HCOO]- 161.129551 151.7
[M+CH3COO]- 175.145201 177.2
[M+Na-2H]- 137.106016 131.8
[M]+ 116.13080142 125.4
[M]- 116.13189858 125.4
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