CID 3077694

Brn 4310750

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCCC(=O)C1=CC(=C(C=C1)NC)O
InChI
InChI=1S/C12H17NO2/c1-3-4-5-11(14)9-6-7-10(13-2)12(15)8-9/h6-8,13,15H,3-5H2,1-2H3
InChIKey
RESFMWRDEXLKML-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-4-(methylamino)phenyl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.1
[M+Na]+ 230.11515 153.8
[M-H]- 206.11865 149.5
[M+NH4]+ 225.15975 165.4
[M+K]+ 246.08909 151.1
[M+H-H2O]+ 190.12319 141.1
[M+HCOO]- 252.12413 169.8
[M+CH3COO]- 266.13978 189.0
[M+Na-2H]- 228.10060 150.8
[M]+ 207.12538 147.8
[M]- 207.12648 147.8
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.