CID 15733227

2,3-diamino-2-methylpropanoic acid dihydrochloride

Structural Information

Molecular Formula
C4H10N2O2
SMILES
CC(CN)(C(=O)O)N
InChI
InChI=1S/C4H10N2O2/c1-4(6,2-5)3(7)8/h2,5-6H2,1H3,(H,7,8)
InChIKey
BJVNVLORPOBATD-UHFFFAOYSA-N
Compound name
2,3-diamino-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1194
Patents

118.07423 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.08151 123.6
[M+Na]+ 141.06345 130.0
[M-H]- 117.06695 121.9
[M+NH4]+ 136.10805 144.2
[M+K]+ 157.03739 129.7
[M+H-H2O]+ 101.07149 119.3
[M+HCOO]- 163.07243 145.4
[M+CH3COO]- 177.08808 171.2
[M+Na-2H]- 139.04890 128.8
[M]+ 118.07368 119.5
[M]- 118.07478 119.5
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