CID 135392570

2-ethynylazetidine hydrochloride

Structural Information

Molecular Formula
C5H7N
SMILES
C#CC1CCN1
InChI
InChI=1S/C5H7N/c1-2-5-3-4-6-5/h1,5-6H,3-4H2
InChIKey
ZZDARAJSBNOCGZ-UHFFFAOYSA-N
Compound name
2-ethynylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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]+ 104.04706 116.2
[M-H]- 80.050570 108.2
[M+NH4]+ 99.091669 122.1
[M+K]+ 120.02100 118.1
[M+H-H2O]+ 64.055106 93.2
[M+HCOO]- 126.05605 123.0
[M+CH3COO]- 140.07170 174.3
[M+Na-2H]- 102.03251 115.1
[M]+ 81.057297 107.6
[M]- 81.058395 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