CID 67451737

2-(azetidin-3-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C5H8N2
SMILES
C1C(CN1)CC#N
InChI
InChI=1S/C5H8N2/c6-2-1-5-3-7-4-5/h5,7H,1,3-4H2
InChIKey
DAKLTKIALMRNMH-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

96.06875 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 112.0
[M+Na]+ 119.05797 119.1
[M-H]- 95.061474 112.8
[M+NH4]+ 114.10257 125.4
[M+K]+ 135.03191 122.0
[M+H-H2O]+ 79.066010 95.8
[M+HCOO]- 141.06695 128.7
[M+CH3COO]- 155.08260 180.8
[M+Na-2H]- 117.04342 119.2
[M]+ 96.068201 112.1
[M]- 96.069299 112.1
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