CID 14224246

2-(2-methylpropyl)benzoic acid

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(C)CC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C11H14O2/c1-8(2)7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKey
PSHADDQTSCEAHY-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

763
Patents

178.09938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 139.2
[M+Na]+ 201.08860 151.1
[M+NH4]+ 196.13320 147.2
[M+K]+ 217.06254 145.6
[M-H]- 177.09210 140.5
[M+Na-2H]- 199.07405 145.0
[M]+ 178.09883 141.1
[M]- 178.09993 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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