CID 99005

2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetamide

Structural Information

Molecular Formula
C13H18N2O2
SMILES
COC1=CC=C(C=C1)C(C(=O)N)N2CCCC2
InChI
InChI=1S/C13H18N2O2/c1-17-11-6-4-10(5-7-11)12(13(14)16)15-8-2-3-9-15/h4-7,12H,2-3,8-9H2,1H3,(H2,14,16)
InChIKey
QBDZSPPNNATJJA-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

234.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.4
[M+Na]+ 257.12605 158.9
[M-H]- 233.12955 158.7
[M+NH4]+ 252.17065 171.5
[M+K]+ 273.09999 156.8
[M+H-H2O]+ 217.13409 146.5
[M+HCOO]- 279.13503 174.7
[M+CH3COO]- 293.15068 192.6
[M+Na-2H]- 255.11150 154.8
[M]+ 234.13628 151.1
[M]- 234.13738 151.1
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