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]+ 165.13863 147.5
[M+Na]+ 187.12057 155.1
[M-H]- 163.12407 147.8
[M+NH4]+ 182.16517 160.5
[M+K]+ 203.09451 152.4
[M+H-H2O]+ 147.12861 133.6
[M+HCOO]- 209.12955 158.1
[M+CH3COO]- 223.14520 211.1
[M+Na-2H]- 185.10602 149.7
[M]+ 164.13080 139.1
[M]- 164.13190 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.