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]+ 200.08367 141.7
[M+Na]+ 222.06561 150.5
[M-H]- 198.06911 145.5
[M+NH4]+ 217.11021 162.1
[M+K]+ 238.03955 146.7
[M+H-H2O]+ 182.07365 136.7
[M+HCOO]- 244.07459 162.6
[M+CH3COO]- 258.09024 187.3
[M+Na-2H]- 220.05106 147.7
[M]+ 199.07584 145.4
[M]- 199.07694 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.