CID 25200330

N, n1-bis-(prop-2-ynyl)-1,4-diaminobutane

Structural Information

Molecular Formula
C10H16N2
SMILES
C#CCNCCCCNCC#C
InChI
InChI=1S/C10H16N2/c1-3-7-11-9-5-6-10-12-8-4-2/h1-2,11-12H,5-10H2
InChIKey
SLVHHBPYKGMWTB-UHFFFAOYSA-N
Compound name
N,N'-bis(prop-2-ynyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

164.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 147.5
[M+Na]+ 187.120568 155.1
[M-H]- 163.124074 147.8
[M+NH4]+ 182.165173 160.5
[M+K]+ 203.094508 152.4
[M+H-H2O]+ 147.128610 133.6
[M+HCOO]- 209.129551 158.1
[M+CH3COO]- 223.145201 211.1
[M+Na-2H]- 185.106016 149.7
[M]+ 164.13080142 139.1
[M]- 164.13189858 139.1
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

No patent data available for this compound.