CID 9899603

26159-35-3

Structural Information

Molecular Formula
C15H16O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC
InChI
InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1
InChIKey
ZFYFBPCRUQZGJE-JTQLQIEISA-N
Compound name
methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

164
Patents

244.10994 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 154.1
[M+Na]+ 267.09916 161.8
[M-H]- 243.10266 158.8
[M+NH4]+ 262.14376 172.8
[M+K]+ 283.07310 159.8
[M+H-H2O]+ 227.10720 147.6
[M+HCOO]- 289.10814 175.4
[M+CH3COO]- 303.12379 195.4
[M+Na-2H]- 265.08461 158.6
[M]+ 244.10939 158.0
[M]- 244.11049 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe