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
1
Annotation Hits

0
References

114
Patents

137.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.6
[M+Na]+ 160.07328 139.4
[M+NH4]+ 155.11788 135.5
[M+K]+ 176.04722 133.6
[M-H]- 136.07678 129.3
[M+Na-2H]- 158.05873 133.2
[M]+ 137.08351 129.1
[M]- 137.08461 129.1
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

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