CID 54721781

Bdbm82145

Structural Information

Molecular Formula
C5H8NO4
SMILES
CC(C)N(C(=O)C(=O)O)[O-]
InChI
InChI=1S/C5H8NO4/c1-3(2)6(10)4(7)5(8)9/h3H,1-2H3,(H,8,9)/q-1
InChIKey
MRVZGUCNFLADIT-UHFFFAOYSA-N
Compound name
2-[oxido(propan-2-yl)amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

146.04533 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05261 127.4
[M+Na]+ 169.03455 133.6
[M-H]- 145.03805 126.5
[M+NH4]+ 164.07915 147.6
[M+K]+ 185.00849 136.2
[M+H-H2O]+ 129.04259 125.0
[M+HCOO]- 191.04353 149.5
[M+CH3COO]- 205.05918 173.8
[M+Na-2H]- 167.02000 129.4
[M]+ 146.04478 126.9
[M]- 146.04588 126.9
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