CID 5743751

2-amino-6-nitro-4-(tert-pentyl)phenol

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
2
Annotation Hits

0
References

23
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 148.1
[M+Na]+ 247.10531 155.3
[M-H]- 223.10881 150.6
[M+NH4]+ 242.14991 165.0
[M+K]+ 263.07925 148.9
[M+H-H2O]+ 207.11335 147.4
[M+HCOO]- 269.11429 170.7
[M+CH3COO]- 283.12994 185.7
[M+Na-2H]- 245.09076 154.2
[M]+ 224.11554 146.0
[M]- 224.11664 146.0
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