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
1
Annotation Hits

0
References

217
Patents

144.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.16992 137.0
[M+Na]+ 167.15186 141.8
[M-H]- 143.15536 139.9
[M+NH4]+ 162.19646 159.4
[M+K]+ 183.12580 144.3
[M+H-H2O]+ 127.15990 131.1
[M+HCOO]- 189.16084 162.1
[M+CH3COO]- 203.17649 191.0
[M+Na-2H]- 165.13731 140.6
[M]+ 144.16209 139.3
[M]- 144.16319 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