CID 154879065

2-methyl-2-(3-methyl-4-nitrophenyl)propan-1-ol

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=C(C=CC(=C1)C(C)(C)CO)[N+](=O)[O-]
InChI
InChI=1S/C11H15NO3/c1-8-6-9(11(2,3)7-13)4-5-10(8)12(14)15/h4-6,13H,7H2,1-3H3
InChIKey
QQSGHQZNHYEURH-UHFFFAOYSA-N
Compound name
2-methyl-2-(3-methyl-4-nitrophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 144.8
[M+Na]+ 232.094418 152.1
[M-H]- 208.097924 147.7
[M+NH4]+ 227.139023 162.8
[M+K]+ 248.068358 146.1
[M+H-H2O]+ 192.102460 144.4
[M+HCOO]- 254.103401 167.1
[M+CH3COO]- 268.119051 180.4
[M+Na-2H]- 230.079866 152.2
[M]+ 209.10465142 144.2
[M]- 209.10574858 144.2
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

No patent data available for this compound.