CID 19103332

5-amino-2,3-dimethylphenol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=CC(=CC(=C1C)O)N
InChI
InChI=1S/C8H11NO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,9H2,1-2H3
InChIKey
DVECBUWKXMPCAA-UHFFFAOYSA-N
Compound name
5-amino-2,3-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

137.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.6
[M+Na]+ 160.073278 136.1
[M-H]- 136.076784 129.6
[M+NH4]+ 155.117883 148.1
[M+K]+ 176.047218 133.7
[M+H-H2O]+ 120.081320 121.9
[M+HCOO]- 182.082261 150.7
[M+CH3COO]- 196.097911 175.3
[M+Na-2H]- 158.058726 132.0
[M]+ 137.08351142 125.1
[M]- 137.08460858 125.1
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

patents stripe