CID 22997657

5-chloro-2-methoxy-3-methylaniline

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CC1=CC(=CC(=C1OC)N)Cl
InChI
InChI=1S/C8H10ClNO/c1-5-3-6(9)4-7(10)8(5)11-2/h3-4H,10H2,1-2H3
InChIKey
WCDZXLZOFWWVQJ-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 131.6
[M+Na]+ 194.03431 145.7
[M+NH4]+ 189.07891 141.0
[M+K]+ 210.00825 138.8
[M-H]- 170.03781 134.8
[M+Na-2H]- 192.01976 138.9
[M]+ 171.04454 134.8
[M]- 171.04564 134.8
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

patents stripe