CID 14061673

45467-31-0

Structural Information

Molecular Formula
C5H9NO
SMILES
CC(=O)N1CCC1
InChI
InChI=1S/C5H9NO/c1-5(7)6-3-2-4-6/h2-4H2,1H3
InChIKey
KTGFLVDKXVWJDH-UHFFFAOYSA-N
Compound name
1-(azetidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

968
Patents

99.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 117.0
[M+Na]+ 122.057628 123.2
[M-H]- 98.061134 119.3
[M+NH4]+ 117.102233 132.5
[M+K]+ 138.031568 126.5
[M+H-H2O]+ 82.065670 106.7
[M+HCOO]- 144.066611 137.7
[M+CH3COO]- 158.082261 169.8
[M+Na-2H]- 120.043076 123.3
[M]+ 99.06786142 124.2
[M]- 99.06895858 124.2
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