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

20
Patents

113.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.0
[M+Na]+ 136.073278 130.2
[M-H]- 112.076784 123.8
[M+NH4]+ 131.117883 138.8
[M+K]+ 152.047218 131.9
[M+H-H2O]+ 96.081320 113.7
[M+HCOO]- 158.082261 141.8
[M+CH3COO]- 172.097911 171.7
[M+Na-2H]- 134.058726 128.1
[M]+ 113.08351142 129.5
[M]- 113.08460858 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