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]+ 246.11248 154.0
[M+Na]+ 268.09442 160.0
[M-H]- 244.09792 160.2
[M+NH4]+ 263.13902 171.0
[M+K]+ 284.06836 158.1
[M+H-H2O]+ 228.10246 146.7
[M+HCOO]- 290.10340 171.0
[M+CH3COO]- 304.11905 165.7
[M+Na-2H]- 266.07987 156.6
[M]+ 245.10465 151.0
[M]- 245.10575 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.