CID 57092980

1-acetylazetidine-3-carbonitrile

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC(=O)N1CC(C1)C#N
InChI
InChI=1S/C6H8N2O/c1-5(9)8-3-6(2-7)4-8/h6H,3-4H2,1H3
InChIKey
AAQZFAVTUWYUOA-UHFFFAOYSA-N
Compound name
1-acetylazetidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

124.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 118.4
[M+Na]+ 147.052878 126.2
[M-H]- 123.056384 120.7
[M+NH4]+ 142.097483 131.5
[M+K]+ 163.026818 130.0
[M+H-H2O]+ 107.060920 102.0
[M+HCOO]- 169.061861 135.6
[M+CH3COO]- 183.077511 187.7
[M+Na-2H]- 145.038326 123.7
[M]+ 124.06311142 120.7
[M]- 124.06420858 120.7
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