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 128.5
[M+Na]+ 169.03455 135.3
[M+NH4]+ 164.07915 133.5
[M+K]+ 185.00849 135.3
[M-H]- 145.03805 125.3
[M+Na-2H]- 167.02000 128.9
[M]+ 146.04478 127.6
[M]- 146.04588 127.6
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

No patent data available for this compound.