CID 3064224

3-methylbutane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C5H14N2
SMILES
CC(C)C(CN)N
InChI
InChI=1S/C5H14N2/c1-4(2)5(7)3-6/h4-5H,3,6-7H2,1-2H3
InChIKey
JUGFAVYVWUFUCN-UHFFFAOYSA-N
Compound name
3-methylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

484
Patents

102.1157 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.122976 124.6
[M+Na]+ 125.104918 130.1
[M-H]- 101.108424 124.1
[M+NH4]+ 120.149523 146.6
[M+K]+ 141.078858 130.2
[M+H-H2O]+ 85.112960 119.7
[M+HCOO]- 147.113901 147.4
[M+CH3COO]- 161.129551 174.2
[M+Na-2H]- 123.090366 127.7
[M]+ 102.11515142 120.4
[M]- 102.11624858 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe