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

103
Patents

103.018875 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.02615 118.1
[M+Na]+ 126.00809 128.6
[M-H]- 102.01160 117.6
[M+NH4]+ 121.05270 139.3
[M+K]+ 141.98203 125.3
[M+H-H2O]+ 86.016135 109.0
[M+HCOO]- 148.01708 133.2
[M+CH3COO]- 162.03273 175.9
[M+Na-2H]- 123.99354 124.3
[M]+ 103.01833 112.6
[M]- 103.01942 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