CID 81677

2-tert-butyl-6-methyl-4-nitrosophenol

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)N=O
InChI
InChI=1S/C11H15NO2/c1-7-5-8(12-14)6-9(10(7)13)11(2,3)4/h5-6,13H,1-4H3
InChIKey
OWQGDXJYRASCMS-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-methyl-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

193.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 140.9
[M+Na]+ 216.099498 150.2
[M-H]- 192.103004 145.6
[M+NH4]+ 211.144103 161.2
[M+K]+ 232.073438 148.7
[M+H-H2O]+ 176.107540 135.8
[M+HCOO]- 238.108481 164.9
[M+CH3COO]- 252.124131 188.6
[M+Na-2H]- 214.084946 147.1
[M]+ 193.10973142 143.6
[M]- 193.11082858 143.6
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