CID 8459

121-05-1

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3024
Patents

144.16264 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.169916 138.1
[M+Na]+ 167.151858 142.5
[M-H]- 143.155364 139.1
[M+NH4]+ 162.196463 159.5
[M+K]+ 183.125798 143.7
[M+H-H2O]+ 127.159900 132.4
[M+HCOO]- 189.160841 161.1
[M+CH3COO]- 203.176491 187.5
[M+Na-2H]- 165.137306 140.0
[M]+ 144.16209142 137.4
[M]- 144.16318858 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

literature stripe

Patent stripe

patents stripe