CID 16770748

926215-17-0

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCCC2)N
InChI
InChI=1S/C12H16N2O2/c1-16-11-5-4-9(8-10(11)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7,13H2,1H3
InChIKey
VRINGIOCZBUXTK-UHFFFAOYSA-N
Compound name
(3-amino-4-methoxyphenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.4
[M+Na]+ 243.11041 160.5
[M+NH4]+ 238.15501 157.9
[M+K]+ 259.08435 157.0
[M-H]- 219.11391 153.0
[M+Na-2H]- 241.09586 155.8
[M]+ 220.12064 152.2
[M]- 220.12174 152.2
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.