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]+ 125.07094 118.4
[M+Na]+ 147.05288 126.2
[M-H]- 123.05638 120.7
[M+NH4]+ 142.09748 131.5
[M+K]+ 163.02682 130.0
[M+H-H2O]+ 107.06092 102.0
[M+HCOO]- 169.06186 135.6
[M+CH3COO]- 183.07751 187.7
[M+Na-2H]- 145.03833 123.7
[M]+ 124.06311 120.7
[M]- 124.06421 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