CID 2795125

1-amino-4-chloro-2-butyne hydrochloride

Structural Information

Molecular Formula
C4H6ClN
SMILES
C(C#CCCl)N
InChI
InChI=1S/C4H6ClN/c5-3-1-2-4-6/h3-4,6H2
InChIKey
QSLSQMGDWOQUQR-UHFFFAOYSA-N
Compound name
4-chlorobut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

103.018875 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.026151 118.1
[M+Na]+ 126.008093 128.6
[M-H]- 102.011599 117.6
[M+NH4]+ 121.052698 139.3
[M+K]+ 141.982033 125.3
[M+H-H2O]+ 86.016135 109.0
[M+HCOO]- 148.017076 133.2
[M+CH3COO]- 162.032726 175.9
[M+Na-2H]- 123.993541 124.3
[M]+ 103.01832642 112.6
[M]- 103.01942358 112.6
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