CID 73284

[hydroxy(propan-2-yl)carbamoyl]formic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
CC(C)N(C(=O)C(=O)O)O
InChI
InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)
InChIKey
QVIOSGUKMDGWNN-UHFFFAOYSA-N
Compound name
2-[hydroxy(propan-2-yl)amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

88
Patents

147.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 128.8
[M+Na]+ 170.04238 134.9
[M-H]- 146.04588 128.2
[M+NH4]+ 165.08698 148.9
[M+K]+ 186.01632 136.6
[M+H-H2O]+ 130.05042 124.1
[M+HCOO]- 192.05136 149.9
[M+CH3COO]- 206.06701 174.9
[M+Na-2H]- 168.02783 131.1
[M]+ 147.05261 128.6
[M]- 147.05371 128.6
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