CID 155978273

1-{[(tert-butoxy)carbamoyl]methyl}-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC(C)(C)ONC(=O)CN1C=NC=C1C(=O)O
InChI
InChI=1S/C10H15N3O4/c1-10(2,3)17-12-8(14)5-13-6-11-4-7(13)9(15)16/h4,6H,5H2,1-3H3,(H,12,14)(H,15,16)
InChIKey
VLMQHTBYSCJDHP-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10626 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 153.2
[M+Na]+ 264.09548 160.1
[M+NH4]+ 259.14008 157.0
[M+K]+ 280.06942 160.5
[M-H]- 240.09898 150.0
[M+Na-2H]- 262.08093 154.9
[M]+ 241.10571 152.6
[M]- 241.10681 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.