CID 165938564

1-amino-1-[4-(propan-2-yloxy)phenyl]butan-2-ol hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCC(C(C1=CC=C(C=C1)OC(C)C)N)O
InChI
InChI=1S/C13H21NO2/c1-4-12(15)13(14)10-5-7-11(8-6-10)16-9(2)3/h5-9,12-13,15H,4,14H2,1-3H3
InChIKey
PIWPESPTVQKIEY-UHFFFAOYSA-N
Compound name
1-amino-1-(4-propan-2-yloxyphenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.7
[M+Na]+ 246.14645 163.1
[M+NH4]+ 241.19105 160.7
[M+K]+ 262.12039 158.7
[M-H]- 222.14995 154.9
[M+Na-2H]- 244.13190 157.7
[M]+ 223.15668 155.1
[M]- 223.15778 155.1
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.