CID 3053392

69846-01-1

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CC(C)(CN)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H14ClNO/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6H,7,12H2,1-2H3
InChIKey
VGROYBHHIYOVMO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 142.4
[M+Na]+ 222.06561 155.1
[M+NH4]+ 217.11021 151.3
[M+K]+ 238.03955 148.4
[M-H]- 198.06911 144.8
[M+Na-2H]- 220.05106 149.5
[M]+ 199.07584 145.3
[M]- 199.07694 145.3
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.