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]+ 190.086256 137.4
[M+Na]+ 212.068198 147.8
[M-H]- 188.071704 143.2
[M+NH4]+ 207.112803 157.0
[M+K]+ 228.042138 145.7
[M+H-H2O]+ 172.076240 131.4
[M+HCOO]- 234.077181 161.4
[M+CH3COO]- 248.092831 185.8
[M+Na-2H]- 210.053646 145.9
[M]+ 189.07843142 139.1
[M]- 189.07952858 139.1
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.