CID 2737147

19-phenylnonadecanoic acid

Structural Information

Molecular Formula
C25H42O2
SMILES
C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C25H42O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h15,17-18,21-22H,1-14,16,19-20,23H2,(H,26,27)
InChIKey
CZXWTZXPCXQSPH-UHFFFAOYSA-N
Compound name
19-phenylnonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.31848 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.32576 203.0
[M+Na]+ 397.30770 202.9
[M-H]- 373.31120 201.9
[M+NH4]+ 392.35230 214.0
[M+K]+ 413.28164 197.0
[M+H-H2O]+ 357.31574 194.2
[M+HCOO]- 419.31668 220.2
[M+CH3COO]- 433.33233 220.5
[M+Na-2H]- 395.29315 200.7
[M]+ 374.31793 208.3
[M]- 374.31903 208.3
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