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

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 167.8
[M+Na]+ 289.18865 173.2
[M-H]- 265.19215 167.9
[M+NH4]+ 284.23325 183.6
[M+K]+ 305.16259 171.3
[M+H-H2O]+ 249.19669 159.6
[M+HCOO]- 311.19763 187.1
[M+CH3COO]- 325.21328 200.0
[M+Na-2H]- 287.17410 167.3
[M]+ 266.19888 172.8
[M]- 266.19998 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