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 123.3
[M+Na]+ 136.07328 129.4
[M-H]- 112.07678 124.3
[M+NH4]+ 131.11788 137.7
[M+K]+ 152.04722 131.5
[M+H-H2O]+ 96.081320 113.2
[M+HCOO]- 158.08226 142.1
[M+CH3COO]- 172.09791 171.9
[M+Na-2H]- 134.05873 127.7
[M]+ 113.08351 129.4
[M]- 113.08461 129.4
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