CID 71578967

Lahorenoic acid c

Structural Information

Molecular Formula
C16H20O2
SMILES
CC/C=C\C1=CC=CC=C1/C=C/CCCC(=O)O
InChI
InChI=1S/C16H20O2/c1-2-3-9-14-11-7-8-12-15(14)10-5-4-6-13-16(17)18/h3,5,7-12H,2,4,6,13H2,1H3,(H,17,18)/b9-3-,10-5+
InChIKey
IBWVVIUOUKLFMN-CPIJYIFHSA-N
Compound name
(E)-6-[2-[(Z)-but-1-enyl]phenyl]hex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15361 159.3
[M+Na]+ 267.13555 165.0
[M-H]- 243.13905 160.8
[M+NH4]+ 262.18015 176.2
[M+K]+ 283.10949 160.1
[M+H-H2O]+ 227.14359 152.9
[M+HCOO]- 289.14453 180.1
[M+CH3COO]- 303.16018 191.9
[M+Na-2H]- 265.12100 161.3
[M]+ 244.14578 160.2
[M]- 244.14688 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.