CID 12504092

4-(4-methylphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=CC=C(C=C1)C2CC(=O)NC2
InChI
InChI=1S/C11H13NO/c1-8-2-4-9(5-3-8)10-6-11(13)12-7-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKey
FSSVYVXCCKLTOQ-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

175.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.7
[M+Na]+ 198.08894 145.3
[M-H]- 174.09244 141.8
[M+NH4]+ 193.13354 157.7
[M+K]+ 214.06288 141.6
[M+H-H2O]+ 158.09698 131.1
[M+HCOO]- 220.09792 158.6
[M+CH3COO]- 234.11357 177.0
[M+Na-2H]- 196.07439 141.0
[M]+ 175.09917 133.8
[M]- 175.10027 133.8
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