CID 46368

64012-01-7

Structural Information

Molecular Formula
C11H16ClNO
SMILES
CN(CCCl)CC1=CC=CC=C1OC
InChI
InChI=1S/C11H16ClNO/c1-13(8-7-12)9-10-5-3-4-6-11(10)14-2/h3-6H,7-9H2,1-2H3
InChIKey
XWCMUCUCMHLMHD-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09204 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09932 146.6
[M+Na]+ 236.08126 154.2
[M-H]- 212.08476 151.4
[M+NH4]+ 231.12586 166.8
[M+K]+ 252.05520 151.6
[M+H-H2O]+ 196.08930 140.9
[M+HCOO]- 258.09024 167.7
[M+CH3COO]- 272.10589 192.7
[M+Na-2H]- 234.06671 152.1
[M]+ 213.09149 151.6
[M]- 213.09259 151.6
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

No patent data available for this compound.