CID 8758226

239136-56-2

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)CN
InChI
InChI=1S/C11H11NO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6,12H2,1H3
InChIKey
JTWMBPZRYBLNNG-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

58
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 140.5
[M+Na]+ 228.06312 150.7
[M-H]- 204.06662 146.2
[M+NH4]+ 223.10772 159.3
[M+K]+ 244.03706 149.2
[M+H-H2O]+ 188.07116 134.2
[M+HCOO]- 250.07210 164.6
[M+CH3COO]- 264.08775 188.0
[M+Na-2H]- 226.04857 149.0
[M]+ 205.07335 143.6
[M]- 205.07445 143.6
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