CID 53407136

1-{[(4-methoxyphenyl)methyl]amino}-2-methylpropan-2-ol hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)(CNCC1=CC=C(C=C1)OC)O
InChI
InChI=1S/C12H19NO2/c1-12(2,14)9-13-8-10-4-6-11(15-3)7-5-10/h4-7,13-14H,8-9H2,1-3H3
InChIKey
NXNGMFOPABEQSU-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

209.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.5
[M+Na]+ 232.130808 154.7
[M-H]- 208.134314 150.7
[M+NH4]+ 227.175413 166.7
[M+K]+ 248.104748 152.5
[M+H-H2O]+ 192.138850 142.7
[M+HCOO]- 254.139791 170.5
[M+CH3COO]- 268.155441 188.2
[M+Na-2H]- 230.116256 154.9
[M]+ 209.14104142 149.7
[M]- 209.14213858 149.7
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