CID 721203

1-(4-methylbenzoyl)pyrrolidine

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1=CC=C(C=C1)C(=O)N2CCCC2
InChI
InChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKey
QXMOFZGGGOFRPH-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.6
[M+Na]+ 212.10459 149.0
[M-H]- 188.10809 147.7
[M+NH4]+ 207.14919 162.5
[M+K]+ 228.07853 146.5
[M+H-H2O]+ 172.11263 135.4
[M+HCOO]- 234.11357 163.7
[M+CH3COO]- 248.12922 181.7
[M+Na-2H]- 210.09004 145.2
[M]+ 189.11482 139.8
[M]- 189.11592 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe