CID 42431

57543-42-7

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1C(=CC2=CC=CC=C2O1)C=O
InChI
InChI=1S/C11H10O2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3
InChIKey
XVXWDVISFYVJQD-UHFFFAOYSA-N
Compound name
2-methyl-2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 132.8
[M+Na]+ 197.057298 142.1
[M-H]- 173.060804 138.4
[M+NH4]+ 192.101903 153.2
[M+K]+ 213.031238 140.6
[M+H-H2O]+ 157.065340 127.1
[M+HCOO]- 219.066281 155.0
[M+CH3COO]- 233.081931 180.5
[M+Na-2H]- 195.042746 141.9
[M]+ 174.06753142 134.4
[M]- 174.06862858 134.4
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

No patent data available for this compound.