CID 469942

2-chloro-n,n'-diisopropylpropane-1,3-diamine

Structural Information

Molecular Formula
C9H21ClN2
SMILES
CC(C)NCC(CNC(C)C)Cl
InChI
InChI=1S/C9H21ClN2/c1-7(2)11-5-9(10)6-12-8(3)4/h7-9,11-12H,5-6H2,1-4H3
InChIKey
RLAZXXMDHNWTFL-UHFFFAOYSA-N
Compound name
2-chloro-N,N'-di(propan-2-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

192.13933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14661 149.1
[M+Na]+ 215.12855 153.4
[M-H]- 191.13205 148.8
[M+NH4]+ 210.17315 168.9
[M+K]+ 231.10249 151.4
[M+H-H2O]+ 175.13659 144.4
[M+HCOO]- 237.13753 166.4
[M+CH3COO]- 251.15318 192.3
[M+Na-2H]- 213.11400 150.5
[M]+ 192.13878 149.7
[M]- 192.13988 149.7
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

No patent data available for this compound.