CID 43810282

2-(naphthalen-1-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C14H12O2
SMILES
C1C(C1C(=O)O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H12O2/c15-14(16)13-8-12(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13H,8H2,(H,15,16)
InChIKey
YQPCJQVAXDLWGR-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 147.5
[M+Na]+ 235.07294 163.1
[M+NH4]+ 230.11754 157.5
[M+K]+ 251.04688 157.2
[M-H]- 211.07644 158.4
[M+Na-2H]- 233.05839 157.7
[M]+ 212.08317 154.0
[M]- 212.08427 154.0
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