CID 6435688

1,4-butanediamine, n-(3-methyl-1-butenyl)-

Structural Information

Molecular Formula
C9H20N2
SMILES
CC(C)/C=C/NCCCCN
InChI
InChI=1S/C9H20N2/c1-9(2)5-8-11-7-4-3-6-10/h5,8-9,11H,3-4,6-7,10H2,1-2H3/b8-5+
InChIKey
AMTIRUGRJCZISV-VMPITWQZSA-N
Compound name
N'-[(E)-3-methylbut-1-enyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 140.4
[M+Na]+ 179.151858 144.8
[M-H]- 155.155364 139.7
[M+NH4]+ 174.196463 160.7
[M+K]+ 195.125798 143.2
[M+H-H2O]+ 139.159900 134.7
[M+HCOO]- 201.160841 163.8
[M+CH3COO]- 215.176491 184.5
[M+Na-2H]- 177.137306 143.9
[M]+ 156.16209142 138.7
[M]- 156.16318858 138.7
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.