CID 106228

Einecs 267-933-5

Structural Information

Molecular Formula
C8H20N2
SMILES
CC(CN(C)C)CN(C)C
InChI
InChI=1S/C8H20N2/c1-8(6-9(2)3)7-10(4)5/h8H,6-7H2,1-5H3
InChIKey
XYKOFBRSFFWOSJ-UHFFFAOYSA-N
Compound name
N,N,N',N',2-pentamethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

144.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.169916 137.0
[M+Na]+ 167.151858 141.8
[M-H]- 143.155364 139.9
[M+NH4]+ 162.196463 159.4
[M+K]+ 183.125798 144.3
[M+H-H2O]+ 127.159900 131.1
[M+HCOO]- 189.160841 162.1
[M+CH3COO]- 203.176491 191.0
[M+Na-2H]- 165.137306 140.6
[M]+ 144.16209142 139.3
[M]- 144.16318858 139.3
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