CID 32252

24183-94-6

Structural Information

Molecular Formula
C15H18O3
SMILES
C1CC2CC1CC2(C(C3=CC=CC=C3)C(=O)O)O
InChI
InChI=1S/C15H18O3/c16-14(17)13(11-4-2-1-3-5-11)15(18)9-10-6-7-12(15)8-10/h1-5,10,12-13,18H,6-9H2,(H,16,17)
InChIKey
HWEQFXDONYYPNJ-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

246.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 159.6
[M+Na]+ 269.11482 164.8
[M-H]- 245.11832 162.8
[M+NH4]+ 264.15942 182.1
[M+K]+ 285.08876 161.1
[M+H-H2O]+ 229.12286 155.1
[M+HCOO]- 291.12380 176.1
[M+CH3COO]- 305.13945 187.7
[M+Na-2H]- 267.10027 160.2
[M]+ 246.12505 156.4
[M]- 246.12615 156.4
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