CID 177798256

3-ethyl-3-ethynylazetidine hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
CCC1(CNC1)C#C
InChI
InChI=1S/C7H11N/c1-3-7(4-2)5-8-6-7/h1,8H,4-6H2,2H3
InChIKey
MRSNVIJLMFXIIQ-UHFFFAOYSA-N
Compound name
3-ethyl-3-ethynylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 118.4
[M+Na]+ 132.078368 126.7
[M-H]- 108.081874 118.7
[M+NH4]+ 127.122973 133.2
[M+K]+ 148.052308 127.5
[M+H-H2O]+ 92.086410 104.3
[M+HCOO]- 154.087351 132.8
[M+CH3COO]- 168.103001 179.2
[M+Na-2H]- 130.063816 125.1
[M]+ 109.08860142 118.7
[M]- 109.08969858 118.7
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

No patent data available for this compound.