CID 565491

Methyl 3-(1h-imidazol-4-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C7H10N2O2
SMILES
COC(=O)CCC1=CN=CN1
InChI
InChI=1S/C7H10N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h4-5H,2-3H2,1H3,(H,8,9)
InChIKey
YFEPBWKUBQUBKL-UHFFFAOYSA-N
Compound name
methyl 3-(1H-imidazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

215
Patents

154.07423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 131.9
[M+Na]+ 177.06345 139.7
[M-H]- 153.06695 131.4
[M+NH4]+ 172.10805 151.2
[M+K]+ 193.03739 138.4
[M+H-H2O]+ 137.07149 125.0
[M+HCOO]- 199.07243 153.4
[M+CH3COO]- 213.08808 171.4
[M+Na-2H]- 175.04890 137.0
[M]+ 154.07368 132.3
[M]- 154.07478 132.3
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