CID 40067

1-(2h-chromen-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H10O2
SMILES
CC(=O)C1=CC2=CC=CC=C2OC1
InChI
InChI=1S/C11H10O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6H,7H2,1H3
InChIKey
SPWAIRGUACCVAD-UHFFFAOYSA-N
Compound name
1-(2H-chromen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

174.06808 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.5
[M+Na]+ 197.05730 141.5
[M-H]- 173.06080 138.8
[M+NH4]+ 192.10190 153.5
[M+K]+ 213.03124 140.5
[M+H-H2O]+ 157.06534 127.7
[M+HCOO]- 219.06628 154.7
[M+CH3COO]- 233.08193 180.3
[M+Na-2H]- 195.04275 142.0
[M]+ 174.06753 134.0
[M]- 174.06863 134.0
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