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

literature stripe

Patent stripe

patents stripe