CID 15819066

188918-42-5

Structural Information

Molecular Formula
C15H18O4
SMILES
CC1([C@H](C[C@H]1C(=O)OCC2=CC=CC=C2)C(=O)O)C
InChI
InChI=1S/C15H18O4/c1-15(2)11(13(16)17)8-12(15)14(18)19-9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
InChIKey
KJBAJGWBGYZYJN-NEPJUHHUSA-N
Compound name
(1S,3R)-2,2-dimethyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

262.1205 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 161.9
[M+Na]+ 285.10972 168.1
[M+NH4]+ 280.15432 165.7
[M+K]+ 301.08366 163.4
[M-H]- 261.11322 160.5
[M+Na-2H]- 283.09517 165.3
[M]+ 262.11995 161.1
[M]- 262.12105 161.1
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