CID 537559

Isopropyl 1h-imidazole-1-carboxylate

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(C)OC(=O)N1C=CN=C1
InChI
InChI=1S/C7H10N2O2/c1-6(2)11-7(10)9-4-3-8-5-9/h3-6H,1-2H3
InChIKey
UAILNBAKJABHNQ-UHFFFAOYSA-N
Compound name
propan-2-yl imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

154.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 131.6
[M+Na]+ 177.06345 139.6
[M-H]- 153.06695 132.7
[M+NH4]+ 172.10805 151.7
[M+K]+ 193.03739 139.8
[M+H-H2O]+ 137.07149 124.6
[M+HCOO]- 199.07243 153.6
[M+CH3COO]- 213.08808 174.3
[M+Na-2H]- 175.04890 136.0
[M]+ 154.07368 133.3
[M]- 154.07478 133.3
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.