CID 66075

1,4-bis(dimethylamino)-2-butyne

Structural Information

Molecular Formula
C8H16N2
SMILES
CN(C)CC#CCN(C)C
InChI
InChI=1S/C8H16N2/c1-9(2)7-5-6-8-10(3)4/h7-8H2,1-4H3
InChIKey
FFDFQBBNDKGBGI-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetramethylbut-2-yne-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

36
Patents

140.13135 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 132.3
[M+Na]+ 163.12057 139.8
[M-H]- 139.12407 134.2
[M+NH4]+ 158.16517 152.4
[M+K]+ 179.09451 140.5
[M+H-H2O]+ 123.12861 120.5
[M+HCOO]- 185.12955 152.5
[M+CH3COO]- 199.14520 194.6
[M+Na-2H]- 161.10602 136.6
[M]+ 140.13080 128.9
[M]- 140.13190 128.9
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