CID 18454345

2-iminobutanoic acid

Structural Information

Molecular Formula
C4H7NO2
SMILES
CCC(=N)C(=O)O
InChI
InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h5H,2H2,1H3,(H,6,7)
InChIKey
WRBRCYPPGUCRHW-UHFFFAOYSA-N
Compound name
2-iminobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

260
Patents

101.047676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 118.4
[M+Na]+ 124.03689 125.3
[M-H]- 100.04040 117.7
[M+NH4]+ 119.08150 140.4
[M+K]+ 140.01083 125.2
[M+H-H2O]+ 84.044936 114.1
[M+HCOO]- 146.04588 141.2
[M+CH3COO]- 160.06153 167.0
[M+Na-2H]- 122.02234 123.6
[M]+ 101.04713 116.3
[M]- 101.04822 116.3
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