CID 5743751

4-tert-amyl-2-amino-6-nitrophenol

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)N
InChI
InChI=1S/C11H16N2O3/c1-4-11(2,3)7-5-8(12)10(14)9(6-7)13(15)16/h5-6,14H,4,12H2,1-3H3
InChIKey
WLJLENRIPLYJSZ-UHFFFAOYSA-N
Compound name
2-amino-4-(2-methylbutan-2-yl)-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

224.11609 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 147.9
[M+Na]+ 247.10531 159.3
[M+NH4]+ 242.14991 154.8
[M+K]+ 263.07925 157.6
[M-H]- 223.10881 150.2
[M+Na-2H]- 245.09076 152.4
[M]+ 224.11554 149.9
[M]- 224.11664 149.9
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