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

112
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.