CID 51888116

1418228-06-4

Structural Information

Molecular Formula
C14H12O2
SMILES
C1[C@H]([C@@H]1C(=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)/t12-,13+/m0/s1
InChIKey
YQPCJQVAXDLWGR-QWHCGFSZSA-N
Compound name
trans-(1R,2R)-2-naphthalen-1-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.08372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 142.7
[M+Na]+ 235.072938 152.6
[M-H]- 211.076444 150.0
[M+NH4]+ 230.117543 157.1
[M+K]+ 251.046878 148.1
[M+H-H2O]+ 195.080980 136.3
[M+HCOO]- 257.081921 164.1
[M+CH3COO]- 271.097571 155.6
[M+Na-2H]- 233.058386 149.0
[M]+ 212.08317142 144.7
[M]- 212.08426858 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

No patent data available for this compound.