CID 37892

Rec 1-0470

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)CN(C)C)C
InChI
InChI=1S/C14H17NO2/c1-9-10(2)17-13-6-5-11(8-15(3)4)7-12(13)14(9)16/h5-7H,8H2,1-4H3
InChIKey
PYMZJVHZHQAUCN-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 150.6
[M+Na]+ 254.11515 160.6
[M-H]- 230.11865 158.1
[M+NH4]+ 249.15975 169.7
[M+K]+ 270.08909 159.7
[M+H-H2O]+ 214.12319 144.0
[M+HCOO]- 276.12413 174.6
[M+CH3COO]- 290.13978 200.2
[M+Na-2H]- 252.10060 157.0
[M]+ 231.12538 155.9
[M]- 231.12648 155.9
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.