CID 3053451

4h-1-benzopyran-4-one, 2,6-dimethyl-3-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC1=CC2=C(C=C1)OC(=C(C2=O)N3CCCC3)C
InChI
InChI=1S/C15H17NO2/c1-10-5-6-13-12(9-10)15(17)14(11(2)18-13)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
MUHSYCRKXAOQPR-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-pyrrolidin-1-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 153.9
[M+Na]+ 266.11515 163.5
[M-H]- 242.11865 161.3
[M+NH4]+ 261.15975 172.1
[M+K]+ 282.08909 160.4
[M+H-H2O]+ 226.12319 146.8
[M+HCOO]- 288.12413 174.0
[M+CH3COO]- 302.13978 167.1
[M+Na-2H]- 264.10060 157.6
[M]+ 243.12538 154.9
[M]- 243.12648 154.9
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.