CID 11240663

4-(prop-2-en-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H10O2
SMILES
C=CCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,1,3H2,(H,11,12)
InChIKey
YBCFIVNTXHMQGZ-UHFFFAOYSA-N
Compound name
4-prop-2-enylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

533
Patents

162.06808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 132.4
[M+Na]+ 185.05730 140.2
[M-H]- 161.06080 134.9
[M+NH4]+ 180.10190 152.6
[M+K]+ 201.03124 137.5
[M+H-H2O]+ 145.06534 127.2
[M+HCOO]- 207.06628 155.0
[M+CH3COO]- 221.08193 175.9
[M+Na-2H]- 183.04275 137.8
[M]+ 162.06753 132.1
[M]- 162.06863 132.1
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

patents stripe