CID 130153835

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

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC1=C(C=CC(=C1)C(C)(C)O)[N+](=O)[O-]
InChI
InChI=1S/C10H13NO3/c1-7-6-8(10(2,3)12)4-5-9(7)11(13)14/h4-6,12H,1-3H3
InChIKey
MKGYGZSSLSVNJG-UHFFFAOYSA-N
Compound name
2-(3-methyl-4-nitrophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 139.6
[M+Na]+ 218.07876 152.4
[M+NH4]+ 213.12336 147.4
[M+K]+ 234.05270 150.1
[M-H]- 194.08226 141.9
[M+Na-2H]- 216.06421 145.4
[M]+ 195.08899 142.0
[M]- 195.09009 142.0
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

No patent data available for this compound.