CID 86547

Einecs 241-361-6

Structural Information

Molecular Formula
C8H18N2
SMILES
CC(C=CN(C)C)N(C)C
InChI
InChI=1S/C8H18N2/c1-8(10(4)5)6-7-9(2)3/h6-8H,1-5H3
InChIKey
DOJGJJJBWVDGTJ-UHFFFAOYSA-N
Compound name
1-N,1-N,3-N,3-N-tetramethylbut-1-ene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

142.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 135.5
[M+Na]+ 165.136218 140.7
[M-H]- 141.139724 138.6
[M+NH4]+ 160.180823 158.0
[M+K]+ 181.110158 142.6
[M+H-H2O]+ 125.144260 129.8
[M+HCOO]- 187.145201 160.9
[M+CH3COO]- 201.160851 189.3
[M+Na-2H]- 163.121666 139.1
[M]+ 142.14645142 137.0
[M]- 142.14754858 137.0
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

patents stripe