CID 14459050

3-(chloromethyl)-n,n-dimethylaniline hydrochloride

Structural Information

Molecular Formula
C9H12ClN
SMILES
CN(C)C1=CC=CC(=C1)CCl
InChI
InChI=1S/C9H12ClN/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,7H2,1-2H3
InChIKey
LFUXVPASAXMCML-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

169.06583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 134.0
[M+Na]+ 192.05505 142.5
[M-H]- 168.05855 139.1
[M+NH4]+ 187.09965 156.0
[M+K]+ 208.02899 139.9
[M+H-H2O]+ 152.06309 129.0
[M+HCOO]- 214.06403 155.5
[M+CH3COO]- 228.07968 184.7
[M+Na-2H]- 190.04050 140.6
[M]+ 169.06528 136.8
[M]- 169.06638 136.8
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

patents stripe