CID 168076

4-propylazetidin-2-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CCCC1CC(=O)N1
InChI
InChI=1S/C6H11NO/c1-2-3-5-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)
InChIKey
QPJCYJIZFCJYIR-UHFFFAOYSA-N
Compound name
4-propylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

479
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 122.7
[M+Na]+ 136.07328 129.0
[M+NH4]+ 131.11788 126.7
[M+K]+ 152.04722 125.6
[M-H]- 112.07678 120.1
[M+Na-2H]- 134.05873 124.7
[M]+ 113.08351 121.4
[M]- 113.08461 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe