CID 569741

2-cyclopropyl-2-nitro-1-phenyl-ethanol

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1CC1C(C(C2=CC=CC=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C11H13NO3/c13-11(9-4-2-1-3-5-9)10(12(14)15)8-6-7-8/h1-5,8,10-11,13H,6-7H2
InChIKey
AWYCKBGOBOKOHC-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-nitro-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 135.7
[M+Na]+ 230.078758 142.1
[M-H]- 206.082264 141.7
[M+NH4]+ 225.123363 148.1
[M+K]+ 246.052698 135.5
[M+H-H2O]+ 190.086800 133.9
[M+HCOO]- 252.087741 158.4
[M+CH3COO]- 266.103391 181.5
[M+Na-2H]- 228.064206 142.1
[M]+ 207.08899142 134.8
[M]- 207.09008858 134.8
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.