CID 7140

2-naphthyl lactate

Structural Information

Molecular Formula
C13H12O3
SMILES
CC(C(=O)OC1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C13H12O3/c1-9(14)13(15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14H,1H3
InChIKey
RTXHNOBSQMHTSB-UHFFFAOYSA-N
Compound name
naphthalen-2-yl 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5159
Patents

216.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.6
[M+Na]+ 239.06786 152.8
[M-H]- 215.07136 148.9
[M+NH4]+ 234.11246 164.4
[M+K]+ 255.04180 150.4
[M+H-H2O]+ 199.07590 139.6
[M+HCOO]- 261.07684 166.1
[M+CH3COO]- 275.09249 185.7
[M+Na-2H]- 237.05331 151.4
[M]+ 216.07809 146.5
[M]- 216.07919 146.5
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