CID 10656165

Rac-(1r,2r)-2-(naphthalen-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C14H12O2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C14H12O2/c15-14(16)13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13H,8H2,(H,15,16)/t12-,13+/m0/s1
InChIKey
FYIYLUVAEOWOBJ-QWHCGFSZSA-N
Compound name
(1R,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.08372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 142.7
[M+Na]+ 235.07294 152.6
[M-H]- 211.07644 150.0
[M+NH4]+ 230.11754 157.1
[M+K]+ 251.04688 148.1
[M+H-H2O]+ 195.08098 136.3
[M+HCOO]- 257.08192 164.1
[M+CH3COO]- 271.09757 155.6
[M+Na-2H]- 233.05839 149.0
[M]+ 212.08317 144.7
[M]- 212.08427 144.7
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