CID 496455

Nsc689615

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCN(CC)C1C(NC1=O)C#C
InChI
InChI=1S/C9H14N2O/c1-4-7-8(9(12)10-7)11(5-2)6-3/h1,7-8H,5-6H2,2-3H3,(H,10,12)
InChIKey
SSRZWGRQVFFNEB-UHFFFAOYSA-N
Compound name
3-(diethylamino)-4-ethynylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 132.7
[M+Na]+ 189.09983 139.6
[M-H]- 165.10333 133.6
[M+NH4]+ 184.14443 143.9
[M+K]+ 205.07377 142.1
[M+H-H2O]+ 149.10787 116.1
[M+HCOO]- 211.10881 147.6
[M+CH3COO]- 225.12446 194.9
[M+Na-2H]- 187.08528 135.2
[M]+ 166.11006 134.6
[M]- 166.11116 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

No patent data available for this compound.