CID 14657827

3,4-diaminobutanoic acid dihydrochloride

Structural Information

Molecular Formula
C4H10N2O2
SMILES
C(C(CN)N)C(=O)O
InChI
InChI=1S/C4H10N2O2/c5-2-3(6)1-4(7)8/h3H,1-2,5-6H2,(H,7,8)
InChIKey
XQKAYTBBWLDCBB-UHFFFAOYSA-N
Compound name
3,4-diaminobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

191
Patents

118.07423 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.08151 124.6
[M+Na]+ 141.06345 130.2
[M-H]- 117.06695 122.7
[M+NH4]+ 136.10805 145.0
[M+K]+ 157.03739 130.0
[M+H-H2O]+ 101.07149 119.5
[M+HCOO]- 163.07243 146.9
[M+CH3COO]- 177.08808 171.8
[M+Na-2H]- 139.04890 127.7
[M]+ 118.07368 120.3
[M]- 118.07478 120.3
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