CID 3039994

2-propylamine, 1,3-dichloro-n,n,2-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C6H13Cl2N
SMILES
CC(CCl)(CCl)N(C)C
InChI
InChI=1S/C6H13Cl2N/c1-6(4-7,5-8)9(2)3/h4-5H2,1-3H3
InChIKey
TYMBOMJCCRSDBS-UHFFFAOYSA-N
Compound name
1,3-dichloro-N,N,2-trimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04979 135.1
[M+Na]+ 192.03173 143.2
[M-H]- 168.03523 136.3
[M+NH4]+ 187.07633 157.4
[M+K]+ 208.00567 140.6
[M+H-H2O]+ 152.03977 132.4
[M+HCOO]- 214.04071 149.2
[M+CH3COO]- 228.05636 184.6
[M+Na-2H]- 190.01718 140.9
[M]+ 169.04196 138.9
[M]- 169.04306 138.9
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

No patent data available for this compound.