CID 76081

4-amino-2-methylphenol

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=C(C=CC(=C1)N)O
InChI
InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
InChIKey
HDGMAACKJSBLMW-UHFFFAOYSA-N
Compound name
4-amino-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

12061
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.3
[M+Na]+ 146.05763 131.3
[M-H]- 122.06113 125.1
[M+NH4]+ 141.10223 144.0
[M+K]+ 162.03157 129.1
[M+H-H2O]+ 106.06567 117.5
[M+HCOO]- 168.06661 146.7
[M+CH3COO]- 182.08226 171.0
[M+Na-2H]- 144.04308 129.0
[M]+ 123.06786 120.1
[M]- 123.06896 120.1
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