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
1
Annotation Hits

0
References

2
Patents

266.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.20671 167.2
[M+Na]+ 289.18865 176.1
[M+NH4]+ 284.23325 172.7
[M+K]+ 305.16259 172.2
[M-H]- 265.19215 166.0
[M+Na-2H]- 287.17410 169.5
[M]+ 266.19888 167.7
[M]- 266.19998 167.7
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