CID 43538171

Methyl 2-methyl-3-(2-methyl-1h-imidazol-1-yl)propanoate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1=NC=CN1CC(C)C(=O)OC
InChI
InChI=1S/C9H14N2O2/c1-7(9(12)13-3)6-11-5-4-10-8(11)2/h4-5,7H,6H2,1-3H3
InChIKey
LLHFGOMQIFRVFY-UHFFFAOYSA-N
Compound name
methyl 2-methyl-3-(2-methylimidazol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 140.0
[M+Na]+ 205.094748 148.1
[M-H]- 181.098254 141.2
[M+NH4]+ 200.139353 159.2
[M+K]+ 221.068688 147.6
[M+H-H2O]+ 165.102790 133.0
[M+HCOO]- 227.103731 161.4
[M+CH3COO]- 241.119381 182.1
[M+Na-2H]- 203.080196 142.7
[M]+ 182.10498142 142.9
[M]- 182.10607858 142.9
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.