CID 3936218

26114-12-5

Structural Information

Molecular Formula
C11H14O2
SMILES
CCCC1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C11H14O2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKey
CNMLOXDIFVZRNO-UHFFFAOYSA-N
Compound name
2-(4-propylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

178.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 138.6
[M+Na]+ 201.088598 145.7
[M-H]- 177.092104 140.9
[M+NH4]+ 196.133203 158.2
[M+K]+ 217.062538 143.3
[M+H-H2O]+ 161.096640 133.1
[M+HCOO]- 223.097581 160.7
[M+CH3COO]- 237.113231 179.8
[M+Na-2H]- 199.074046 143.3
[M]+ 178.09883142 139.3
[M]- 178.09992858 139.3
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