CID 3051102

2h-1-benzopyran-2-one, 3-ethyl-4-methyl-7-(2-propynyloxy)-

Structural Information

Molecular Formula
C15H14O3
SMILES
CCC1=C(C2=C(C=C(C=C2)OCC#C)OC1=O)C
InChI
InChI=1S/C15H14O3/c1-4-8-17-11-6-7-13-10(3)12(5-2)15(16)18-14(13)9-11/h1,6-7,9H,5,8H2,2-3H3
InChIKey
KMDWNGANCAMQIP-UHFFFAOYSA-N
Compound name
3-ethyl-4-methyl-7-prop-2-ynoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 151.7
[M+Na]+ 265.08352 166.5
[M+NH4]+ 260.12812 156.5
[M+K]+ 281.05746 156.3
[M-H]- 241.08702 147.4
[M+Na-2H]- 263.06897 154.7
[M]+ 242.09375 152.0
[M]- 242.09485 152.0
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