CID 30314

20809-78-3

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(=O)O
InChI
InChI=1S/C16H16O2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,17,18)
InChIKey
DRVBWVSGMCHHOU-UHFFFAOYSA-N
Compound name
2,2-bis(4-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

93
Patents

240.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 154.2
[M+Na]+ 263.104258 161.1
[M-H]- 239.107764 159.8
[M+NH4]+ 258.148863 171.0
[M+K]+ 279.078198 157.5
[M+H-H2O]+ 223.112300 147.3
[M+HCOO]- 285.113241 175.1
[M+CH3COO]- 299.128891 192.7
[M+Na-2H]- 261.089706 157.0
[M]+ 240.11449142 153.9
[M]- 240.11558858 153.9
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