CID 227771

50786-84-0

Structural Information

Molecular Formula
C5H11Cl2N
SMILES
CN(C)CC(CCl)Cl
InChI
InChI=1S/C5H11Cl2N/c1-8(2)4-5(7)3-6/h5H,3-4H2,1-2H3
InChIKey
PWRALTDUHCCTCT-UHFFFAOYSA-N
Compound name
2,3-dichloro-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

155.02686 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03414 130.4
[M+Na]+ 178.01608 138.2
[M-H]- 154.01958 131.5
[M+NH4]+ 173.06068 153.1
[M+K]+ 193.99002 136.0
[M+H-H2O]+ 138.02412 127.5
[M+HCOO]- 200.02506 145.4
[M+CH3COO]- 214.04071 182.2
[M+Na-2H]- 176.00153 135.0
[M]+ 155.02631 133.7
[M]- 155.02741 133.7
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.