CID 53439

76103-58-7

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]+ 204.13829 147.0
[M+Na]+ 226.12023 152.9
[M-H]- 202.12373 151.8
[M+NH4]+ 221.16483 166.2
[M+K]+ 242.09417 150.1
[M+H-H2O]+ 186.12827 139.6
[M+HCOO]- 248.12921 167.8
[M+CH3COO]- 262.14486 185.4
[M+Na-2H]- 224.10568 149.1
[M]+ 203.13046 144.6
[M]- 203.13156 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