CID 662440

2-amino-4-isopropylphenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)C1=CC(=C(C=C1)O)N
InChI
InChI=1S/C9H13NO/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6,11H,10H2,1-2H3
InChIKey
WXULIANDWRYTKZ-UHFFFAOYSA-N
Compound name
2-amino-4-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

94
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.1
[M+Na]+ 174.088938 139.9
[M-H]- 150.092444 134.5
[M+NH4]+ 169.133543 152.6
[M+K]+ 190.062878 137.7
[M+H-H2O]+ 134.096980 126.9
[M+HCOO]- 196.097921 154.8
[M+CH3COO]- 210.113571 178.0
[M+Na-2H]- 172.074386 136.3
[M]+ 151.09917142 129.9
[M]- 151.10026858 129.9
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