CID 3078876

Brn 4309574

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCCC(=O)C1=CC(=C(C=C1)NC)O
InChI
InChI=1S/C11H15NO2/c1-3-4-10(13)8-5-6-9(12-2)11(14)7-8/h5-7,12,14H,3-4H2,1-2H3
InChIKey
SAUMSXJWDAYTLN-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-4-(methylamino)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.5
[M+Na]+ 216.09950 149.6
[M-H]- 192.10300 145.1
[M+NH4]+ 211.14410 161.4
[M+K]+ 232.07344 147.2
[M+H-H2O]+ 176.10754 136.7
[M+HCOO]- 238.10848 165.6
[M+CH3COO]- 252.12413 186.0
[M+Na-2H]- 214.08495 146.8
[M]+ 193.10973 142.8
[M]- 193.11083 142.8
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.