CID 3051101

67268-42-2

Structural Information

Molecular Formula
C12H8O3
SMILES
C#CCOC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h1,3-6,8H,7H2
InChIKey
IEHFVZKMAOKFTR-UHFFFAOYSA-N
Compound name
7-prop-2-ynoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

43
Patents

200.04735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05463 140.1
[M+Na]+ 223.03657 152.9
[M-H]- 199.04007 143.8
[M+NH4]+ 218.08117 157.2
[M+K]+ 239.01051 148.2
[M+H-H2O]+ 183.04461 128.1
[M+HCOO]- 245.04555 157.9
[M+CH3COO]- 259.06120 191.6
[M+Na-2H]- 221.02202 148.1
[M]+ 200.04680 138.4
[M]- 200.04790 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe