CID 3042971

Jpb 11

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(=O)C1=CC(=C(C=C1)NC)O
InChI
InChI=1S/C9H11NO2/c1-6(11)7-3-4-8(10-2)9(12)5-7/h3-5,10,12H,1-2H3
InChIKey
GYGQWBBAWJBKRW-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-4-(methylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.2
[M+Na]+ 188.068198 141.1
[M-H]- 164.071704 136.1
[M+NH4]+ 183.112803 153.2
[M+K]+ 204.042138 139.2
[M+H-H2O]+ 148.076240 127.8
[M+HCOO]- 210.077181 156.9
[M+CH3COO]- 224.092831 179.9
[M+Na-2H]- 186.053646 138.5
[M]+ 165.07843142 132.8
[M]- 165.07952858 132.8
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