CID 28562932

5-chloro-n-(2-methoxyethyl)-2-methylaniline

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CC1=C(C=C(C=C1)Cl)NCCOC
InChI
InChI=1S/C10H14ClNO/c1-8-3-4-9(11)7-10(8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKey
VQSVYHDIYQJFRA-UHFFFAOYSA-N
Compound name
5-chloro-N-(2-methoxyethyl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.083666 141.7
[M+Na]+ 222.065608 150.5
[M-H]- 198.069114 145.5
[M+NH4]+ 217.110213 162.1
[M+K]+ 238.039548 146.7
[M+H-H2O]+ 182.073650 136.7
[M+HCOO]- 244.074591 162.6
[M+CH3COO]- 258.090241 187.3
[M+Na-2H]- 220.051056 147.7
[M]+ 199.07584142 145.4
[M]- 199.07693858 145.4
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.