CID 13741595

7486-92-2

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)C1CC(=O)N1
InChI
InChI=1S/C6H11NO/c1-4(2)5-3-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)
InChIKey
UMECPVGLNIYFEO-UHFFFAOYSA-N
Compound name
4-propan-2-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

113.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 124.0
[M+Na]+ 136.07328 129.9
[M+NH4]+ 131.11788 127.8
[M+K]+ 152.04722 127.3
[M-H]- 112.07678 121.2
[M+Na-2H]- 134.05873 125.5
[M]+ 113.08351 122.6
[M]- 113.08461 122.6
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