CID 205559

Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-

Structural Information

Molecular Formula
C14H15NO3
SMILES
C1CCN(C1)C(=O)C2CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H15NO3/c16-13(15-7-3-4-8-15)11-9-10-5-1-2-6-12(10)18-14(11)17/h1-2,5-6,11H,3-4,7-9H2
InChIKey
YKSWANWZIBMPIT-UHFFFAOYSA-N
Compound name
3-(pyrrolidine-1-carbonyl)-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.112476 154.0
[M+Na]+ 268.094418 160.0
[M-H]- 244.097924 160.2
[M+NH4]+ 263.139023 171.0
[M+K]+ 284.068358 158.1
[M+H-H2O]+ 228.102460 146.7
[M+HCOO]- 290.103401 171.0
[M+CH3COO]- 304.119051 165.7
[M+Na-2H]- 266.079866 156.6
[M]+ 245.10465142 151.0
[M]- 245.10574858 151.0
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.