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]+ 224.164506 154.8
[M+Na]+ 246.146448 159.3
[M-H]- 222.149954 156.2
[M+NH4]+ 241.191053 171.8
[M+K]+ 262.120388 157.7
[M+H-H2O]+ 206.154490 148.5
[M+HCOO]- 268.155431 174.4
[M+CH3COO]- 282.171081 192.9
[M+Na-2H]- 244.131896 155.0
[M]+ 223.15668142 153.9
[M]- 223.15777858 153.9
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.