CID 175127

72727-63-0

Structural Information

Molecular Formula
C19H28O2
SMILES
C=CCCCCCCCCC(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-12-15-19(20)21-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2
InChIKey
BXLGKICTKQVKQF-UHFFFAOYSA-N
Compound name
2-phenylethyl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

288.20892 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 174.7
[M+Na]+ 311.19814 178.1
[M-H]- 287.20164 176.4
[M+NH4]+ 306.24274 190.1
[M+K]+ 327.17208 174.0
[M+H-H2O]+ 271.20618 167.0
[M+HCOO]- 333.20712 195.7
[M+CH3COO]- 347.22277 203.9
[M+Na-2H]- 309.18359 176.1
[M]+ 288.20837 179.0
[M]- 288.20947 179.0
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