CID 3066545

110525-53-6

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCOC(=O)CCCN1C=CN=C1C
InChI
InChI=1S/C10H16N2O2/c1-3-14-10(13)5-4-7-12-8-6-11-9(12)2/h6,8H,3-5,7H2,1-2H3
InChIKey
WBOLHIIQVPGIJV-UHFFFAOYSA-N
Compound name
ethyl 4-(2-methylimidazol-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

196.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 144.5
[M+Na]+ 219.110408 152.4
[M-H]- 195.113914 145.3
[M+NH4]+ 214.155013 163.2
[M+K]+ 235.084348 151.2
[M+H-H2O]+ 179.118450 137.1
[M+HCOO]- 241.119391 166.5
[M+CH3COO]- 255.135041 184.2
[M+Na-2H]- 217.095856 147.8
[M]+ 196.12064142 148.3
[M]- 196.12173858 148.3
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