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]+ 244.133206 153.9
[M+Na]+ 266.115148 163.5
[M-H]- 242.118654 161.3
[M+NH4]+ 261.159753 172.1
[M+K]+ 282.089088 160.4
[M+H-H2O]+ 226.123190 146.8
[M+HCOO]- 288.124131 174.0
[M+CH3COO]- 302.139781 167.1
[M+Na-2H]- 264.100596 157.6
[M]+ 243.12538142 154.9
[M]- 243.12647858 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.