CID 79359914

4-{[(4-methoxyphenyl)methyl]amino}-2-methylbutan-2-ol hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(C)(CCNCC1=CC=C(C=C1)OC)O
InChI
InChI=1S/C13H21NO2/c1-13(2,15)8-9-14-10-11-4-6-12(16-3)7-5-11/h4-7,14-15H,8-10H2,1-3H3
InChIKey
HDGFYDPKURVILJ-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylamino]-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.15723 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 153.1
[M+Na]+ 246.146448 158.8
[M-H]- 222.149954 155.1
[M+NH4]+ 241.191053 170.7
[M+K]+ 262.120388 156.5
[M+H-H2O]+ 206.154490 147.1
[M+HCOO]- 268.155431 174.8
[M+CH3COO]- 282.171081 191.2
[M+Na-2H]- 244.131896 159.0
[M]+ 223.15668142 154.6
[M]- 223.15777858 154.6
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