CID 50989198

(4-chloro-2-methoxyphenyl)methanamine

Structural Information

Molecular Formula
C8H10ClNO
SMILES
COC1=C(C=CC(=C1)Cl)CN
InChI
InChI=1S/C8H10ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKey
NHFLCGVYVOSCAV-UHFFFAOYSA-N
Compound name
(4-chloro-2-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

171.04509 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 132.9
[M+Na]+ 194.03431 142.5
[M-H]- 170.03781 136.5
[M+NH4]+ 189.07891 154.2
[M+K]+ 210.00825 138.9
[M+H-H2O]+ 154.04235 128.4
[M+HCOO]- 216.04329 153.8
[M+CH3COO]- 230.05894 180.6
[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