CID 145996806

Ns00117228

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCN[C@@H](C)CC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H17NO2/c1-3-12-8(2)6-9-4-5-10(13)11(14)7-9/h4-5,7-8,12-14H,3,6H2,1-2H3/t8-/m0/s1
InChIKey
CKUGRMSDBDIJRN-QMMMGPOBSA-N
Compound name
4-[(2S)-2-(ethylamino)propyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.5
[M+Na]+ 218.11515 150.8
[M-H]- 194.11865 145.6
[M+NH4]+ 213.15975 162.6
[M+K]+ 234.08909 148.1
[M+H-H2O]+ 178.12319 138.8
[M+HCOO]- 240.12413 165.8
[M+CH3COO]- 254.13978 184.3
[M+Na-2H]- 216.10060 148.1
[M]+ 195.12538 143.5
[M]- 195.12648 143.5
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

No patent data available for this compound.