CID 3063432

Chromone, 6-(aminomethyl)-2,3-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)CN)C
InChI
InChI=1S/C12H13NO2/c1-7-8(2)15-11-4-3-9(6-13)5-10(11)12(7)14/h3-5H,6,13H2,1-2H3
InChIKey
LJAZFXSBMVEIMI-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.2
[M+Na]+ 226.08386 153.1
[M-H]- 202.08736 148.2
[M+NH4]+ 221.12846 161.6
[M+K]+ 242.05780 150.8
[M+H-H2O]+ 186.09190 136.3
[M+HCOO]- 248.09284 165.8
[M+CH3COO]- 262.10849 190.1
[M+Na-2H]- 224.06931 149.4
[M]+ 203.09409 144.7
[M]- 203.09519 144.7
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.