CID 27623

16006-10-3

Structural Information

Molecular Formula
C7H13NO
SMILES
CCC1(CNC1=O)CC
InChI
InChI=1S/C7H13NO/c1-3-7(4-2)5-8-6(7)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
XHMUOLXEAFNULF-UHFFFAOYSA-N
Compound name
3,3-diethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.1
[M+Na]+ 150.08894 134.0
[M-H]- 126.09244 128.4
[M+NH4]+ 145.13354 143.1
[M+K]+ 166.06288 135.4
[M+H-H2O]+ 110.09698 118.2
[M+HCOO]- 172.09792 146.6
[M+CH3COO]- 186.11357 173.6
[M+Na-2H]- 148.07439 133.3
[M]+ 127.09917 134.6
[M]- 127.10027 134.6
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