CID 79996

5893-10-7

Structural Information

Molecular Formula
C4H7NO3
SMILES
CC(C(=O)O)NC=O
InChI
InChI=1S/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)
InChIKey
SRBATDDRZARFDZ-UHFFFAOYSA-N
Compound name
2-formamidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

434
Patents

117.042595 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 121.0
[M+Na]+ 140.031813 127.8
[M-H]- 116.035319 120.3
[M+NH4]+ 135.076418 142.3
[M+K]+ 156.005753 128.2
[M+H-H2O]+ 100.039855 116.5
[M+HCOO]- 162.040796 144.1
[M+CH3COO]- 176.056446 169.1
[M+Na-2H]- 138.017261 126.3
[M]+ 117.04204642 120.4
[M]- 117.04314358 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

literature stripe

Patent stripe

patents stripe