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]+ 238.14377 153.9
[M+Na]+ 260.12571 157.9
[M-H]- 236.12921 156.2
[M+NH4]+ 255.17031 170.7
[M+K]+ 276.09965 154.3
[M+H-H2O]+ 220.13375 147.6
[M+HCOO]- 282.13469 172.5
[M+CH3COO]- 296.15034 186.5
[M+Na-2H]- 258.11116 154.6
[M]+ 237.13594 148.6
[M]- 237.13704 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.