CID 154575251

2137579-32-7

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=NOC(=C1)C#CC(=O)OC
InChI
InChI=1S/C8H7NO3/c1-6-5-7(12-9-6)3-4-8(10)11-2/h5H,1-2H3
InChIKey
BPAXKTNCUCRAQH-UHFFFAOYSA-N
Compound name
methyl 3-(3-methyl-1,2-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.9
[M+Na]+ 188.031808 141.1
[M-H]- 164.035314 131.3
[M+NH4]+ 183.076413 147.6
[M+K]+ 204.005748 140.0
[M+H-H2O]+ 148.039850 117.5
[M+HCOO]- 210.040791 147.4
[M+CH3COO]- 224.056441 183.3
[M+Na-2H]- 186.017256 134.6
[M]+ 165.04204142 127.8
[M]- 165.04313858 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.