CID 75606

N-formylglycine

Structural Information

Molecular Formula
C3H5NO3
SMILES
C(C(=O)O)NC=O
InChI
InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7)
InChIKey
UGJBHEZMOKVTIM-UHFFFAOYSA-N
Compound name
2-formamidoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

84
References

7064
Patents

103.02694 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 115.9
[M+Na]+ 126.016158 123.4
[M-H]- 102.019664 115.3
[M+NH4]+ 121.060763 137.8
[M+K]+ 141.990098 123.5
[M+H-H2O]+ 86.024200 111.5
[M+HCOO]- 148.025141 140.3
[M+CH3COO]- 162.040791 165.2
[M+Na-2H]- 124.001606 123.0
[M]+ 103.02639142 115.6
[M]- 103.02748858 115.6
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