CID 62534108

5-chloro-n-(1-methoxypropan-2-yl)-2-methylaniline hydrochloride

Structural Information

Molecular Formula
C11H16ClNO
SMILES
CC1=C(C=C(C=C1)Cl)NC(C)COC
InChI
InChI=1S/C11H16ClNO/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3
InChIKey
CJZJHKSPEXMXEI-UHFFFAOYSA-N
Compound name
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09204 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.099316 146.5
[M+Na]+ 236.081258 154.6
[M-H]- 212.084764 150.3
[M+NH4]+ 231.125863 166.4
[M+K]+ 252.055198 151.2
[M+H-H2O]+ 196.089300 141.5
[M+HCOO]- 258.090241 166.2
[M+CH3COO]- 272.105891 191.1
[M+Na-2H]- 234.066706 150.8
[M]+ 213.09149142 150.0
[M]- 213.09258858 150.0
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.