CID 155973370

Methyl2-ethynyl-5-methylbenzoate

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1=CC(=C(C=C1)C#C)C(=O)OC
InChI
InChI=1S/C11H10O2/c1-4-9-6-5-8(2)7-10(9)11(12)13-3/h1,5-7H,2-3H3
InChIKey
RNQWEFJYELXGMY-UHFFFAOYSA-N
Compound name
methyl 2-ethynyl-5-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 135.2
[M+Na]+ 197.05730 148.1
[M+NH4]+ 192.10190 139.9
[M+K]+ 213.03124 139.1
[M-H]- 173.06080 129.0
[M+Na-2H]- 195.04275 138.9
[M]+ 174.06753 134.5
[M]- 174.06863 134.5
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

No patent data available for this compound.