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]+ 196.096816 139.9
[M+Na]+ 218.078758 147.6
[M-H]- 194.082264 143.0
[M+NH4]+ 213.123363 158.4
[M+K]+ 234.052698 141.8
[M+H-H2O]+ 178.086800 139.7
[M+HCOO]- 240.087741 162.6
[M+CH3COO]- 254.103391 177.4
[M+Na-2H]- 216.064206 147.8
[M]+ 195.08899142 139.0
[M]- 195.09008858 139.0
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.