CID 12219116

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

169.06583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 134.0
[M+Na]+ 192.055048 142.5
[M-H]- 168.058554 139.1
[M+NH4]+ 187.099653 156.0
[M+K]+ 208.028988 139.9
[M+H-H2O]+ 152.063090 129.0
[M+HCOO]- 214.064031 155.5
[M+CH3COO]- 228.079681 184.7
[M+Na-2H]- 190.040496 140.6
[M]+ 169.06528142 136.8
[M]- 169.06637858 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