CID 62250625

Methyl 2-cyclopropyl-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C8H10N2O2
SMILES
COC(=O)C1=CN=C(N1)C2CC2
InChI
InChI=1S/C8H10N2O2/c1-12-8(11)6-4-9-7(10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChIKey
SGLGHHLKCJNINF-UHFFFAOYSA-N
Compound name
methyl 2-cyclopropyl-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 138.2
[M+Na]+ 189.06345 148.5
[M-H]- 165.06695 142.1
[M+NH4]+ 184.10805 152.4
[M+K]+ 205.03739 144.9
[M+H-H2O]+ 149.07149 131.0
[M+HCOO]- 211.07243 159.7
[M+CH3COO]- 225.08808 177.7
[M+Na-2H]- 187.04890 142.2
[M]+ 166.07368 140.5
[M]- 166.07478 140.5
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

patents stripe