CID 55300441

1314910-43-4

Structural Information

Molecular Formula
C5H6N2
SMILES
C1C(=CC#N)CN1
InChI
InChI=1S/C5H6N2/c6-2-1-5-3-7-4-5/h1,7H,3-4H2
InChIKey
OWMAUILZJRKPBN-UHFFFAOYSA-N
Compound name
2-(azetidin-3-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

94.0531 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 112.5
[M+Na]+ 117.04232 120.0
[M-H]- 93.045824 113.4
[M+NH4]+ 112.08692 126.0
[M+K]+ 133.01626 122.3
[M+H-H2O]+ 77.050360 96.4
[M+HCOO]- 139.05130 129.4
[M+CH3COO]- 153.06695 179.3
[M+Na-2H]- 115.02777 119.6
[M]+ 94.052551 111.9
[M]- 94.053649 111.9
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