CID 17782009

2-propenoic acid, 3-(2-hydroxyphenyl)-, 9-decen-1-yl ester, (2e)-

Structural Information

Molecular Formula
C19H26O3
SMILES
C=CCCCCCCCCOC(=O)/C=C/C1=CC=CC=C1O
InChI
InChI=1S/C19H26O3/c1-2-3-4-5-6-7-8-11-16-22-19(21)15-14-17-12-9-10-13-18(17)20/h2,9-10,12-15,20H,1,3-8,11,16H2/b15-14+
InChIKey
UUMOACOQIVAMMF-CCEZHUSRSA-N
Compound name
dec-9-enyl (E)-3-(2-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

52
Patents

302.1882 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.195476 176.1
[M+Na]+ 325.177418 180.4
[M-H]- 301.180924 176.9
[M+NH4]+ 320.222023 190.5
[M+K]+ 341.151358 175.4
[M+H-H2O]+ 285.185460 168.9
[M+HCOO]- 347.186401 196.1
[M+CH3COO]- 361.202051 203.0
[M+Na-2H]- 323.162866 176.6
[M]+ 302.18765142 179.6
[M]- 302.18874858 179.6
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