CID 21492628

2-amino-5-methoxy-4-methylphenol hydrochloride

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1=CC(=C(C=C1OC)O)N
InChI
InChI=1S/C8H11NO2/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4,10H,9H2,1-2H3
InChIKey
IFNNXEGYCIBJCW-UHFFFAOYSA-N
Compound name
2-amino-5-methoxy-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 129.8
[M+Na]+ 176.068198 139.1
[M-H]- 152.071704 132.7
[M+NH4]+ 171.112803 150.5
[M+K]+ 192.042138 137.2
[M+H-H2O]+ 136.076240 124.7
[M+HCOO]- 198.077181 154.0
[M+CH3COO]- 212.092831 177.4
[M+Na-2H]- 174.053646 135.1
[M]+ 153.07843142 129.7
[M]- 153.07952858 129.7
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