CID 3017303

2-(1h-imidazol-1-yl)ethyl methacrylate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(=C)C(=O)OCCN1C=CN=C1
InChI
InChI=1S/C9H12N2O2/c1-8(2)9(12)13-6-5-11-4-3-10-7-11/h3-4,7H,1,5-6H2,2H3
InChIKey
KXVAYZZWCKNUMN-UHFFFAOYSA-N
Compound name
2-imidazol-1-ylethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

899
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.5
[M+Na]+ 203.079088 146.9
[M-H]- 179.082594 140.2
[M+NH4]+ 198.123693 158.4
[M+K]+ 219.053028 145.9
[M+H-H2O]+ 163.087130 132.1
[M+HCOO]- 225.088071 161.0
[M+CH3COO]- 239.103721 180.0
[M+Na-2H]- 201.064536 142.8
[M]+ 180.08932142 141.2
[M]- 180.09041858 141.2
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