CID 3158580

791601-04-2

Structural Information

Molecular Formula
C10H15ClN2
SMILES
CN(C)C(CN)C1=CC=CC=C1Cl
InChI
InChI=1S/C10H15ClN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3
InChIKey
JXJCCQYPULQIKT-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N,N-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

198.09238 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.099656 144.5
[M+Na]+ 221.081598 151.4
[M-H]- 197.085104 148.9
[M+NH4]+ 216.126203 164.7
[M+K]+ 237.055538 148.6
[M+H-H2O]+ 181.089640 139.0
[M+HCOO]- 243.090581 165.1
[M+CH3COO]- 257.106231 192.7
[M+Na-2H]- 219.067046 148.4
[M]+ 198.09183142 145.4
[M]- 198.09292858 145.4
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