CID 4633094

(carboxyhydroxyamino)ethanoic acid

Structural Information

Molecular Formula
C3H5NO5
SMILES
C(C(=O)O)N(C(=O)O)O
InChI
InChI=1S/C3H5NO5/c5-2(6)1-4(9)3(7)8/h9H,1H2,(H,5,6)(H,7,8)
InChIKey
LJSQPIOQKDFEKE-UHFFFAOYSA-N
Compound name
2-[carboxy(hydroxy)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

135.01677 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02405 122.4
[M+Na]+ 158.00599 128.8
[M-H]- 134.00949 120.4
[M+NH4]+ 153.05059 142.0
[M+K]+ 173.97993 130.1
[M+H-H2O]+ 118.01403 117.7
[M+HCOO]- 180.01497 143.7
[M+CH3COO]- 194.03062 168.3
[M+Na-2H]- 155.99144 126.4
[M]+ 135.01622 121.6
[M]- 135.01732 121.6
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