CID 3159684

1050161-21-1

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC1=C(C=CC(=C1)OCCN)Cl
InChI
InChI=1S/C9H12ClNO/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3
InChIKey
BDMIIOXQERVSLH-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

185.06075 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 137.6
[M+Na]+ 208.04997 146.8
[M-H]- 184.05347 141.0
[M+NH4]+ 203.09457 158.3
[M+K]+ 224.02391 143.0
[M+H-H2O]+ 168.05801 132.8
[M+HCOO]- 230.05895 158.2
[M+CH3COO]- 244.07460 183.6
[M+Na-2H]- 206.03542 143.1
[M]+ 185.06020 139.9
[M]- 185.06130 139.9
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.