CID 165461759

Methyl 3-(4-methyl-1,3-oxazol-5-yl)prop-2-ynoate

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=C(OC=N1)C#CC(=O)OC
InChI
InChI=1S/C8H7NO3/c1-6-7(12-5-9-6)3-4-8(10)11-2/h5H,1-2H3
InChIKey
QVNLBWSFPBBSQC-UHFFFAOYSA-N
Compound name
methyl 3-(4-methyl-1,3-oxazol-5-yl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 129.9
[M+Na]+ 188.03181 141.1
[M-H]- 164.03531 131.3
[M+NH4]+ 183.07641 147.6
[M+K]+ 204.00575 140.0
[M+H-H2O]+ 148.03985 117.5
[M+HCOO]- 210.04079 147.4
[M+CH3COO]- 224.05644 183.3
[M+Na-2H]- 186.01726 134.6
[M]+ 165.04204 127.8
[M]- 165.04314 127.8
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.