CID 469929

N1,n2-diisopropyl-1,2-propanediamine

Structural Information

Molecular Formula
C9H22N2
SMILES
CC(C)NCC(C)NC(C)C
InChI
InChI=1S/C9H22N2/c1-7(2)10-6-9(5)11-8(3)4/h7-11H,6H2,1-5H3
InChIKey
FUJUAXDOMMJSRK-UHFFFAOYSA-N
Compound name
1-N,2-N-di(propan-2-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

158.1783 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.18558 142.9
[M+Na]+ 181.16752 146.5
[M-H]- 157.17102 142.8
[M+NH4]+ 176.21212 163.2
[M+K]+ 197.14146 146.8
[M+H-H2O]+ 141.17556 137.3
[M+HCOO]- 203.17650 164.7
[M+CH3COO]- 217.19215 188.6
[M+Na-2H]- 179.15297 144.8
[M]+ 158.17775 141.7
[M]- 158.17885 141.7
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