CID 40066

2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C10H8O2
SMILES
C1C(=CC2=CC=CC=C2O1)C=O
InChI
InChI=1S/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7H2
InChIKey
RISKINCQRSLFRK-UHFFFAOYSA-N
Compound name
2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

270
Patents

160.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 129.5
[M+Na]+ 183.04165 144.4
[M+NH4]+ 178.08625 139.5
[M+K]+ 199.01559 137.1
[M-H]- 159.04515 134.2
[M+Na-2H]- 181.02710 137.2
[M]+ 160.05188 133.1
[M]- 160.05298 133.1
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