CID 818014

10175-31-2

Structural Information

Molecular Formula
C9H12ClN
SMILES
CN(C)CC1=CC=CC=C1Cl
InChI
InChI=1S/C9H12ClN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3
InChIKey
MZKKJAOOPDDXQQ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

169.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 133.6
[M+Na]+ 192.05505 147.8
[M+NH4]+ 187.09965 143.9
[M+K]+ 208.02899 139.9
[M-H]- 168.05855 137.7
[M+Na-2H]- 190.04050 142.3
[M]+ 169.06528 137.2
[M]- 169.06638 137.2
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