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]+ 221.128466 149.6
[M+Na]+ 243.110408 155.9
[M-H]- 219.113914 154.5
[M+NH4]+ 238.155013 167.8
[M+K]+ 259.084348 153.5
[M+H-H2O]+ 203.118450 142.1
[M+HCOO]- 265.119391 171.3
[M+CH3COO]- 279.135041 189.2
[M+Na-2H]- 241.095856 151.0
[M]+ 220.12064142 146.9
[M]- 220.12173858 146.9
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.