CID 7312

2-chloroethyldiisopropylammonium chloride

Structural Information

Molecular Formula
C8H18ClN
SMILES
CC(C)N(CCCl)C(C)C
InChI
InChI=1S/C8H18ClN/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
DBVADBHSJCWFKI-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1073
Patents

163.11278 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12006 138.6
[M+Na]+ 186.10200 144.7
[M-H]- 162.10550 140.0
[M+NH4]+ 181.14660 160.7
[M+K]+ 202.07594 143.9
[M+H-H2O]+ 146.11004 134.4
[M+HCOO]- 208.11098 156.8
[M+CH3COO]- 222.12663 187.3
[M+Na-2H]- 184.08745 141.1
[M]+ 163.11223 141.6
[M]- 163.11333 141.6
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