CID 124159

But-2-yne-1,4-diamine dihydrochloride

Structural Information

Molecular Formula
C4H8N2
SMILES
C(C#CCN)N
InChI
InChI=1S/C4H8N2/c5-3-1-2-4-6/h3-6H2
InChIKey
CSZGEDPWASKNHR-UHFFFAOYSA-N
Compound name
but-2-yne-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

102
Patents

84.06875 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.076026 117.7
[M+Na]+ 107.05797 126.4
[M-H]- 83.061474 116.7
[M+NH4]+ 102.10257 138.1
[M+K]+ 123.03191 125.1
[M+H-H2O]+ 67.066010 107.1
[M+HCOO]- 129.06695 137.0
[M+CH3COO]- 143.08260 176.0
[M+Na-2H]- 105.04342 123.2
[M]+ 84.068201 108.9
[M]- 84.069299 108.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe