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 139.9
[M+Na]+ 218.07876 147.6
[M-H]- 194.08226 143.0
[M+NH4]+ 213.12336 158.4
[M+K]+ 234.05270 141.8
[M+H-H2O]+ 178.08680 139.7
[M+HCOO]- 240.08774 162.6
[M+CH3COO]- 254.10339 177.4
[M+Na-2H]- 216.06421 147.8
[M]+ 195.08899 139.0
[M]- 195.09009 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.