CID 109581

2-amino-3,4-dimethylphenol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C(=C(C=C1)O)N)C
InChI
InChI=1S/C8H11NO/c1-5-3-4-7(10)8(9)6(5)2/h3-4,10H,9H2,1-2H3
InChIKey
ISKXCVCGYJQVMQ-UHFFFAOYSA-N
Compound name
2-amino-3,4-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
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

literature stripe

Patent stripe

patents stripe