CID 550811

3,4,4-trimethylazetidin-2-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1C(=O)NC1(C)C
InChI
InChI=1S/C6H11NO/c1-4-5(8)7-6(4,2)3/h4H,1-3H3,(H,7,8)
InChIKey
JFBUBHRVMZNJIN-UHFFFAOYSA-N
Compound name
3,4,4-trimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.0
[M+Na]+ 136.07328 130.2
[M-H]- 112.07678 123.8
[M+NH4]+ 131.11788 138.8
[M+K]+ 152.04722 131.9
[M+H-H2O]+ 96.081320 113.7
[M+HCOO]- 158.08226 141.8
[M+CH3COO]- 172.09791 171.7
[M+Na-2H]- 134.05873 128.1
[M]+ 113.08351 129.5
[M]- 113.08461 129.5
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