CID 90354

2-pyrrolidinone, 1-(2-methylphenyl)-

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=CC=CC=C1N2CCCC2=O
InChI
InChI=1S/C11H13NO/c1-9-5-2-3-6-10(9)12-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3
InChIKey
YZKUWLKFKUUHJP-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 136.9
[M+Na]+ 198.08894 144.9
[M-H]- 174.09244 142.4
[M+NH4]+ 193.13354 157.7
[M+K]+ 214.06288 142.2
[M+H-H2O]+ 158.09698 130.1
[M+HCOO]- 220.09792 159.4
[M+CH3COO]- 234.11357 179.6
[M+Na-2H]- 196.07439 140.7
[M]+ 175.09917 134.9
[M]- 175.10027 134.9
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