CID 57126156

N3,n3,4-trimethylpentane-1,3-diamine

Structural Information

Molecular Formula
C8H20N2
SMILES
CC(C)C(CCN)N(C)C
InChI
InChI=1S/C8H20N2/c1-7(2)8(5-6-9)10(3)4/h7-8H,5-6,9H2,1-4H3
InChIKey
WHMZUNKMDWUEMS-UHFFFAOYSA-N
Compound name
3-N,3-N,4-trimethylpentane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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 138.1
[M+Na]+ 167.15186 142.5
[M-H]- 143.15536 139.1
[M+NH4]+ 162.19646 159.5
[M+K]+ 183.12580 143.7
[M+H-H2O]+ 127.15990 132.4
[M+HCOO]- 189.16084 161.1
[M+CH3COO]- 203.17649 187.5
[M+Na-2H]- 165.13731 140.0
[M]+ 144.16209 137.4
[M]- 144.16319 137.4
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