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

94
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]+ 119.057968 119.1
[M-H]- 95.061474 112.8
[M+NH4]+ 114.102573 125.4
[M+K]+ 135.031908 122.0
[M+H-H2O]+ 79.066010 95.8
[M+HCOO]- 141.066951 128.7
[M+CH3COO]- 155.082601 180.8
[M+Na-2H]- 117.043416 119.2
[M]+ 96.06820142 112.1
[M]- 96.06929858 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