CID 26227

N-cyclopentylbutanephrine

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCC(C(C1=CC(=C(C=C1)O)O)O)NC2CCCC2
InChI
InChI=1S/C15H23NO3/c1-2-12(16-11-5-3-4-6-11)15(19)10-7-8-13(17)14(18)9-10/h7-9,11-12,15-19H,2-6H2,1H3
InChIKey
FEYMRICSONQYOT-UHFFFAOYSA-N
Compound name
4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

265.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.5
[M+Na]+ 288.15702 166.3
[M-H]- 264.16052 165.5
[M+NH4]+ 283.20162 179.1
[M+K]+ 304.13096 162.9
[M+H-H2O]+ 248.16506 157.0
[M+HCOO]- 310.16600 180.4
[M+CH3COO]- 324.18165 193.5
[M+Na-2H]- 286.14247 161.9
[M]+ 265.16725 158.3
[M]- 265.16835 158.3
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.