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]+ 242.113536 153.6
[M+Na]+ 264.095478 160.2
[M-H]- 240.098984 153.6
[M+NH4]+ 259.140083 169.2
[M+K]+ 280.069418 159.6
[M+H-H2O]+ 224.103520 146.7
[M+HCOO]- 286.104461 173.2
[M+CH3COO]- 300.120111 190.5
[M+Na-2H]- 262.080926 156.9
[M]+ 241.10571142 155.6
[M]- 241.10680858 155.6
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.