CID 101860973

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

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CCCCC(CC)COC(=O)CCN1C=CN=C1C
InChI
InChI=1S/C15H26N2O2/c1-4-6-7-14(5-2)12-19-15(18)8-10-17-11-9-16-13(17)3/h9,11,14H,4-8,10,12H2,1-3H3
InChIKey
WCUHJSGMHMOFCS-UHFFFAOYSA-N
Compound name
2-ethylhexyl 3-(2-methylimidazol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

266.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.206706 167.8
[M+Na]+ 289.188648 173.2
[M-H]- 265.192154 167.9
[M+NH4]+ 284.233253 183.6
[M+K]+ 305.162588 171.3
[M+H-H2O]+ 249.196690 159.6
[M+HCOO]- 311.197631 187.1
[M+CH3COO]- 325.213281 200.0
[M+Na-2H]- 287.174096 167.3
[M]+ 266.19888142 172.8
[M]- 266.19997858 172.8
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