CID 67422305

2803856-25-7

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

5
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]+ 118.062718 120.2
[M-H]- 94.066224 112.4
[M+NH4]+ 113.107323 126.0
[M+K]+ 134.036658 121.8
[M+H-H2O]+ 78.070760 97.4
[M+HCOO]- 140.071701 127.1
[M+CH3COO]- 154.087351 176.4
[M+Na-2H]- 116.048166 118.9
[M]+ 95.07295142 112.1
[M]- 95.07404858 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