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]+ 194.117556 142.5
[M+Na]+ 216.099498 149.6
[M-H]- 192.103004 145.1
[M+NH4]+ 211.144103 161.4
[M+K]+ 232.073438 147.2
[M+H-H2O]+ 176.107540 136.7
[M+HCOO]- 238.108481 165.6
[M+CH3COO]- 252.124131 186.0
[M+Na-2H]- 214.084946 146.8
[M]+ 193.10973142 142.8
[M]- 193.11082858 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.