CID 62534108

2060037-66-1

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]+ 214.09932 146.5
[M+Na]+ 236.08126 154.6
[M-H]- 212.08476 150.3
[M+NH4]+ 231.12586 166.4
[M+K]+ 252.05520 151.2
[M+H-H2O]+ 196.08930 141.5
[M+HCOO]- 258.09024 166.2
[M+CH3COO]- 272.10589 191.1
[M+Na-2H]- 234.06671 150.8
[M]+ 213.09149 150.0
[M]- 213.09259 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.