CID 77231236

1224684-84-7

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CNCC1=CC(=C(C=C1)Cl)OC
InChI
InChI=1S/C9H12ClNO/c1-11-6-7-3-4-8(10)9(5-7)12-2/h3-5,11H,6H2,1-2H3
InChIKey
KTTFMLZLKYSNHW-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06075 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.068026 137.0
[M+Na]+ 208.049968 146.2
[M-H]- 184.053474 141.0
[M+NH4]+ 203.094573 158.0
[M+K]+ 224.023908 142.7
[M+H-H2O]+ 168.058010 132.2
[M+HCOO]- 230.058951 158.2
[M+CH3COO]- 244.074601 184.3
[M+Na-2H]- 206.035416 143.6
[M]+ 185.06020142 140.3
[M]- 185.06129858 140.3
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.