CID 29841

2-hydrazino-3-methylbutanoic acid

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CC(C)C(C(=O)O)NN
InChI
InChI=1S/C5H12N2O2/c1-3(2)4(7-6)5(8)9/h3-4,7H,6H2,1-2H3,(H,8,9)
InChIKey
PMQMQIALVIXUTQ-UHFFFAOYSA-N
Compound name
2-hydrazinyl-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

132.08987 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.09715 129.5
[M+Na]+ 155.07909 134.5
[M-H]- 131.08259 128.1
[M+NH4]+ 150.12369 149.6
[M+K]+ 171.05303 134.9
[M+H-H2O]+ 115.08713 124.4
[M+HCOO]- 177.08807 151.1
[M+CH3COO]- 191.10372 176.4
[M+Na-2H]- 153.06454 131.8
[M]+ 132.08932 125.9
[M]- 132.09042 125.9
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