CID 28130

U 2956

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CCN(C1)CC(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H15NO3/c14-10-4-3-9(7-11(10)15)12(16)8-13-5-1-2-6-13/h3-4,7,14-15H,1-2,5-6,8H2
InChIKey
KSZQAZXCZAHBPB-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.1
[M+Na]+ 244.094418 155.2
[M-H]- 220.097924 151.7
[M+NH4]+ 239.139023 166.3
[M+K]+ 260.068358 152.1
[M+H-H2O]+ 204.102460 142.3
[M+HCOO]- 266.103401 167.6
[M+CH3COO]- 280.119051 182.6
[M+Na-2H]- 242.079866 150.2
[M]+ 221.10465142 145.9
[M]- 221.10574858 145.9
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

patents stripe