CID 32745

N-chlorodiisopropylamine

Structural Information

Molecular Formula
C6H14ClN
SMILES
CC(C)N(C(C)C)Cl
InChI
InChI=1S/C6H14ClN/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
InChIKey
YGZQKMUEFIDPIB-UHFFFAOYSA-N
Compound name
N-chloro-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

164
Patents

135.08148 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08876 129.0
[M+Na]+ 158.07070 135.9
[M-H]- 134.07420 130.8
[M+NH4]+ 153.11530 152.2
[M+K]+ 174.04464 135.7
[M+H-H2O]+ 118.07874 125.2
[M+HCOO]- 180.07968 147.8
[M+CH3COO]- 194.09533 181.3
[M+Na-2H]- 156.05615 132.6
[M]+ 135.08093 131.3
[M]- 135.08203 131.3
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