CID 57361

98317-61-4

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CC2=C(C=C1)C(=CC(=O)O2)CN
InChI
InChI=1S/C11H11NO2/c1-7-2-3-9-8(6-12)5-11(13)14-10(9)4-7/h2-5H,6,12H2,1H3
InChIKey
OSCLDXKLEDQCJV-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-7-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 137.4
[M+Na]+ 212.06820 152.1
[M+NH4]+ 207.11280 146.6
[M+K]+ 228.04214 145.4
[M-H]- 188.07170 142.4
[M+Na-2H]- 210.05365 144.4
[M]+ 189.07843 141.0
[M]- 189.07953 141.0
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

No patent data available for this compound.