CID 86657051

3-ethynylazetidine hydrochloride

Structural Information

Molecular Formula
C5H7N
SMILES
C#CC1CNC1
InChI
InChI=1S/C5H7N/c1-2-5-3-6-4-5/h1,5-6H,3-4H2
InChIKey
SOXIPNKHMJEZMN-UHFFFAOYSA-N
Compound name
3-ethynylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

81.057846 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 108.2
[M+Na]+ 104.047064 116.2
[M-H]- 80.050570 108.2
[M+NH4]+ 99.091669 122.1
[M+K]+ 120.021004 118.1
[M+H-H2O]+ 64.055106 93.2
[M+HCOO]- 126.056047 123.0
[M+CH3COO]- 140.071697 174.3
[M+Na-2H]- 102.032512 115.1
[M]+ 81.05729742 107.6
[M]- 81.05839458 107.6
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