CID 51569

M-cresol, 6-tert-butyl-4-nitro-

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])C(C)(C)C)O
InChI
InChI=1S/C11H15NO3/c1-7-5-10(13)8(11(2,3)4)6-9(7)12(14)15/h5-6,13H,1-4H3
InChIKey
LCIFJBVMAQCODX-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-methyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.1052 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 144.0
[M+Na]+ 232.09442 152.3
[M-H]- 208.09792 147.3
[M+NH4]+ 227.13902 162.4
[M+K]+ 248.06836 146.4
[M+H-H2O]+ 192.10246 144.0
[M+HCOO]- 254.10340 166.4
[M+CH3COO]- 268.11905 180.9
[M+Na-2H]- 230.07987 150.9
[M]+ 209.10465 143.8
[M]- 209.10575 143.8
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