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 154.8
[M+Na]+ 246.14645 159.3
[M-H]- 222.14995 156.2
[M+NH4]+ 241.19105 171.8
[M+K]+ 262.12039 157.7
[M+H-H2O]+ 206.15449 148.5
[M+HCOO]- 268.15543 174.4
[M+CH3COO]- 282.17108 192.9
[M+Na-2H]- 244.13190 155.0
[M]+ 223.15668 153.9
[M]- 223.15778 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.