CID 71757073

3-amino-1-phenylbutane-1,4-diol

Structural Information

Molecular Formula
C10H15NO2
SMILES
C1=CC=C(C=C1)C(CC(CO)N)O
InChI
InChI=1S/C10H15NO2/c11-9(7-12)6-10(13)8-4-2-1-3-5-8/h1-5,9-10,12-13H,6-7,11H2
InChIKey
ACQOCBCVBZQPAR-UHFFFAOYSA-N
Compound name
3-amino-1-phenylbutane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 141.4
[M+Na]+ 204.09950 146.0
[M-H]- 180.10300 141.4
[M+NH4]+ 199.14410 159.1
[M+K]+ 220.07344 143.7
[M+H-H2O]+ 164.10754 135.5
[M+HCOO]- 226.10848 161.4
[M+CH3COO]- 240.12413 179.2
[M+Na-2H]- 202.08495 144.7
[M]+ 181.10973 137.7
[M]- 181.11083 137.7
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

No patent data available for this compound.