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

0
Patents

223.15723 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.1
[M+Na]+ 246.14645 158.8
[M-H]- 222.14995 155.1
[M+NH4]+ 241.19105 170.7
[M+K]+ 262.12039 156.5
[M+H-H2O]+ 206.15449 147.1
[M+HCOO]- 268.15543 174.8
[M+CH3COO]- 282.17108 191.2
[M+Na-2H]- 244.13190 159.0
[M]+ 223.15668 154.6
[M]- 223.15778 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

No patent data available for this compound.