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 164.8
[M-H]- 241.08702 155.7
[M+NH4]+ 260.12812 167.9
[M+K]+ 281.05746 159.9
[M+H-H2O]+ 225.09156 139.7
[M+HCOO]- 287.09250 168.5
[M+CH3COO]- 301.10815 201.9
[M+Na-2H]- 263.06897 157.0
[M]+ 242.09375 151.6
[M]- 242.09485 151.6
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