CID 60268

108873-53-6

Structural Information

Molecular Formula
C13H21NO3
SMILES
CCCCCNCC(C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C13H21NO3/c1-2-3-4-7-14-9-13(17)10-5-6-11(15)12(16)8-10/h5-6,8,13-17H,2-4,7,9H2,1H3
InChIKey
VBEZGGRFZLEUGX-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(pentylamino)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.15215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 156.8
[M+Na]+ 262.14137 161.7
[M-H]- 238.14487 156.0
[M+NH4]+ 257.18597 172.3
[M+K]+ 278.11531 158.2
[M+H-H2O]+ 222.14941 150.6
[M+HCOO]- 284.15035 176.1
[M+CH3COO]- 298.16600 190.1
[M+Na-2H]- 260.12682 158.9
[M]+ 239.15160 156.1
[M]- 239.15270 156.1
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

patents stripe