CID 5354661

1199-20-8

Structural Information

Molecular Formula
C10H10O2
SMILES
C/C(=C\C(=O)O)/C1=CC=CC=C1
InChI
InChI=1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
InChIKey
PEXWJYDPDXUVSV-BQYQJAHWSA-N
Compound name
(E)-3-phenylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

155
Patents

162.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 133.6
[M+Na]+ 185.05730 140.3
[M-H]- 161.06080 135.9
[M+NH4]+ 180.10190 153.5
[M+K]+ 201.03124 138.1
[M+H-H2O]+ 145.06534 128.3
[M+HCOO]- 207.06628 155.3
[M+CH3COO]- 221.08193 175.0
[M+Na-2H]- 183.04275 138.4
[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