CID 3060608

3-methylaminomethyl-6-hydroxyphthalide hydrobromide

Structural Information

Molecular Formula
C10H11NO3
SMILES
CNCC1C2=C(C=C(C=C2)O)C(=O)O1
InChI
InChI=1S/C10H11NO3/c1-11-5-9-7-3-2-6(12)4-8(7)10(13)14-9/h2-4,9,11-12H,5H2,1H3
InChIKey
JTODIKGLAONWBM-UHFFFAOYSA-N
Compound name
6-hydroxy-3-(methylaminomethyl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 138.0
[M+Na]+ 216.06312 147.0
[M-H]- 192.06662 142.5
[M+NH4]+ 211.10772 158.6
[M+K]+ 232.03706 145.3
[M+H-H2O]+ 176.07116 133.0
[M+HCOO]- 238.07210 160.8
[M+CH3COO]- 252.08775 183.2
[M+Na-2H]- 214.04857 144.3
[M]+ 193.07335 139.2
[M]- 193.07445 139.2
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.