CID 54020303

3,3-dimethyl-4-(pyridin-4-yl)azetidin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1(C(NC1=O)C2=CC=NC=C2)C
InChI
InChI=1S/C10H12N2O/c1-10(2)8(12-9(10)13)7-3-5-11-6-4-7/h3-6,8H,1-2H3,(H,12,13)
InChIKey
KYLMCPQKMNYJGT-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-pyridin-4-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 137.7
[M+Na]+ 199.08418 145.9
[M-H]- 175.08768 140.8
[M+NH4]+ 194.12878 150.4
[M+K]+ 215.05812 145.7
[M+H-H2O]+ 159.09222 126.3
[M+HCOO]- 221.09316 156.6
[M+CH3COO]- 235.10881 181.6
[M+Na-2H]- 197.06963 144.1
[M]+ 176.09441 144.7
[M]- 176.09551 144.7
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