CID 67422305

3-(prop-1-yn-1-yl)azetidinehydrochloride

Structural Information

Molecular Formula
C6H9N
SMILES
CC#CC1CNC1
InChI
InChI=1S/C6H9N/c1-2-3-6-4-7-5-6/h6-7H,4-5H2,1H3
InChIKey
BVTLVUGIRJDUAL-UHFFFAOYSA-N
Compound name
3-prop-1-ynylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

95.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 112.5
[M+Na]+ 118.06272 120.2
[M-H]- 94.066224 112.4
[M+NH4]+ 113.10732 126.0
[M+K]+ 134.03666 121.8
[M+H-H2O]+ 78.070760 97.4
[M+HCOO]- 140.07170 127.1
[M+CH3COO]- 154.08735 176.4
[M+Na-2H]- 116.04817 118.9
[M]+ 95.072951 112.1
[M]- 95.074049 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