CID 816856

887572-51-2

Structural Information

Molecular Formula
C14H10O2
SMILES
COC(=O)C#CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H10O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-6,8,10H,1H3
InChIKey
RSDUVDKHUSYMJW-UHFFFAOYSA-N
Compound name
methyl 3-naphthalen-2-ylprop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06808 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07536 150.0
[M+Na]+ 233.05730 161.1
[M-H]- 209.06080 152.8
[M+NH4]+ 228.10190 167.7
[M+K]+ 249.03124 154.6
[M+H-H2O]+ 193.06534 138.0
[M+HCOO]- 255.06628 166.8
[M+CH3COO]- 269.08193 193.0
[M+Na-2H]- 231.04275 155.3
[M]+ 210.06753 145.8
[M]- 210.06863 145.8
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.