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

31
Patents

113.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 123.3
[M+Na]+ 136.073278 129.4
[M-H]- 112.076784 124.3
[M+NH4]+ 131.117883 137.7
[M+K]+ 152.047218 131.5
[M+H-H2O]+ 96.081320 113.2
[M+HCOO]- 158.082261 142.1
[M+CH3COO]- 172.097911 171.9
[M+Na-2H]- 134.058726 127.7
[M]+ 113.08351142 129.4
[M]- 113.08460858 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