CID 53439

Ethanone, 2-(1-methyl-2-pyrrolidinyl)-1-phenyl-

Structural Information

Molecular Formula
C13H17NO
SMILES
CN1CCCC1CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-14-9-5-8-12(14)10-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKey
RWLAXBSTHKJZRW-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrolidin-2-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 147.0
[M+Na]+ 226.120228 152.9
[M-H]- 202.123734 151.8
[M+NH4]+ 221.164833 166.2
[M+K]+ 242.094168 150.1
[M+H-H2O]+ 186.128270 139.6
[M+HCOO]- 248.129211 167.8
[M+CH3COO]- 262.144861 185.4
[M+Na-2H]- 224.105676 149.1
[M]+ 203.13046142 144.6
[M]- 203.13155858 144.6
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