CID 3016194

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

Structural Information

Molecular Formula
C7H17ClN2
SMILES
CN(C)CC(CN(C)C)Cl
InChI
InChI=1S/C7H17ClN2/c1-9(2)5-7(8)6-10(3)4/h7H,5-6H2,1-4H3
InChIKey
SCMRSXYMRBPCRB-UHFFFAOYSA-N
Compound name
2-chloro-N,N,N',N'-tetramethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

164.10803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.115306 138.8
[M+Na]+ 187.097248 144.8
[M-H]- 163.100754 141.7
[M+NH4]+ 182.141853 161.2
[M+K]+ 203.071188 145.2
[M+H-H2O]+ 147.105290 134.0
[M+HCOO]- 209.106231 159.8
[M+CH3COO]- 223.121881 191.7
[M+Na-2H]- 185.082696 142.4
[M]+ 164.10748142 142.6
[M]- 164.10857858 142.6
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