CID 3046380

N-isopropyl-3-(3',4'-dihydroxyphenyl)piperidine hydrobromide

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)N1CCCC(C1)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C14H21NO2/c1-10(2)15-7-3-4-12(9-15)11-5-6-13(16)14(17)8-11/h5-6,8,10,12,16-17H,3-4,7,9H2,1-2H3
InChIKey
ZSSPPZSGDHUIBH-UHFFFAOYSA-N
Compound name
4-(1-propan-2-ylpiperidin-3-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.0
[M+Na]+ 258.14645 161.2
[M-H]- 234.14995 158.2
[M+NH4]+ 253.19105 171.2
[M+K]+ 274.12039 157.6
[M+H-H2O]+ 218.15449 148.8
[M+HCOO]- 280.15543 171.2
[M+CH3COO]- 294.17108 189.0
[M+Na-2H]- 256.13190 156.9
[M]+ 235.15668 151.1
[M]- 235.15778 151.1
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

patents stripe