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

473
Patents

102.1157 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.12298 124.6
[M+Na]+ 125.10492 130.1
[M-H]- 101.10842 124.1
[M+NH4]+ 120.14952 146.6
[M+K]+ 141.07886 130.2
[M+H-H2O]+ 85.112960 119.7
[M+HCOO]- 147.11390 147.4
[M+CH3COO]- 161.12955 174.2
[M+Na-2H]- 123.09037 127.7
[M]+ 102.11515 120.4
[M]- 102.11625 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