CID 130510864

2418720-10-0

Structural Information

Molecular Formula
C6H9N
SMILES
C#CCC1CNC1
InChI
InChI=1S/C6H9N/c1-2-3-6-4-7-5-6/h1,6-7H,3-5H2
InChIKey
JUGWORXESDWGEC-UHFFFAOYSA-N
Compound name
3-prop-2-ynylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

95.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 112.2
[M+Na]+ 118.062718 119.8
[M-H]- 94.066224 112.0
[M+NH4]+ 113.107323 125.6
[M+K]+ 134.036658 121.5
[M+H-H2O]+ 78.070760 97.0
[M+HCOO]- 140.071701 126.7
[M+CH3COO]- 154.087351 177.0
[M+Na-2H]- 116.048166 118.6
[M]+ 95.07295142 111.9
[M]- 95.07404858 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

No literature data available for this compound.

Patent stripe

patents stripe