CID 26226

Win 5591

Structural Information

Molecular Formula
C13H19NO3
SMILES
C1CCC(C1)NCC(C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C13H19NO3/c15-11-6-5-9(7-12(11)16)13(17)8-14-10-3-1-2-4-10/h5-7,10,13-17H,1-4,8H2
InChIKey
JZFABYQAQALWIN-UHFFFAOYSA-N
Compound name
4-[2-(cyclopentylamino)-1-hydroxyethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 153.9
[M+Na]+ 260.125708 157.9
[M-H]- 236.129214 156.2
[M+NH4]+ 255.170313 170.7
[M+K]+ 276.099648 154.3
[M+H-H2O]+ 220.133750 147.6
[M+HCOO]- 282.134691 172.5
[M+CH3COO]- 296.150341 186.5
[M+Na-2H]- 258.111156 154.6
[M]+ 237.13594142 148.6
[M]- 237.13703858 148.6
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.