CID 12754025

Methyl 3-(2-methylphenyl)prop-2-ynoate

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1=CC=CC=C1C#CC(=O)OC
InChI
InChI=1S/C11H10O2/c1-9-5-3-4-6-10(9)7-8-11(12)13-2/h3-6H,1-2H3
InChIKey
PYEFBLSKCJMIBB-UHFFFAOYSA-N
Compound name
methyl 3-(2-methylphenyl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

174.06808 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 138.1
[M+Na]+ 197.05730 148.7
[M-H]- 173.06080 140.6
[M+NH4]+ 192.10190 156.5
[M+K]+ 213.03124 145.1
[M+H-H2O]+ 157.06534 126.7
[M+HCOO]- 219.06628 156.1
[M+CH3COO]- 233.08193 187.2
[M+Na-2H]- 195.04275 142.5
[M]+ 174.06753 134.3
[M]- 174.06863 134.3
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