CID 46271

(+-)-alpha-(1-(n-butylamino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CCCCNC(C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C13H21NO/c1-3-4-10-14-11(2)13(15)12-8-6-5-7-9-12/h5-9,11,13-15H,3-4,10H2,1-2H3
InChIKey
VGNHLCGLEQOBRS-UHFFFAOYSA-N
Compound name
2-(butylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 150.8
[M+Na]+ 230.15153 161.0
[M+NH4]+ 225.19613 158.7
[M+K]+ 246.12547 154.7
[M-H]- 206.15503 152.9
[M+Na-2H]- 228.13698 156.4
[M]+ 207.16176 152.7
[M]- 207.16286 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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