CID 2754218

3,3-dimethyl-4-phenylazetidin-2-one

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(C(NC1=O)C2=CC=CC=C2)C
InChI
InChI=1S/C11H13NO/c1-11(2)9(12-10(11)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)
InChIKey
BURORIWFPNUAHC-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 136.7
[M+Na]+ 198.08894 144.6
[M-H]- 174.09244 141.3
[M+NH4]+ 193.13354 150.9
[M+K]+ 214.06288 144.2
[M+H-H2O]+ 158.09698 126.3
[M+HCOO]- 220.09792 156.7
[M+CH3COO]- 234.11357 181.9
[M+Na-2H]- 196.07439 142.8
[M]+ 175.09917 143.7
[M]- 175.10027 143.7
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