CID 6284479

1,4-diamino-2-butene

Structural Information

Molecular Formula
C4H10N2
SMILES
C(/C=C\CN)N
InChI
InChI=1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1-
InChIKey
FPYGTMVTDDBHRP-UPHRSURJSA-N
Compound name
(Z)-but-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

587
Patents

86.0844 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.091676 116.9
[M+Na]+ 109.07362 123.6
[M-H]- 85.077124 116.5
[M+NH4]+ 104.11822 139.7
[M+K]+ 125.04756 122.5
[M+H-H2O]+ 69.081660 112.2
[M+HCOO]- 131.08260 142.3
[M+CH3COO]- 145.09825 167.7
[M+Na-2H]- 107.05907 123.4
[M]+ 86.083851 113.0
[M]- 86.084949 113.0
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