CID 116526

2-(2-methyl-1-propenyl)-6-nitrophenol

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=CC1=C(C(=CC=C1)[N+](=O)[O-])O)C
InChI
InChI=1S/C10H11NO3/c1-7(2)6-8-4-3-5-9(10(8)12)11(13)14/h3-6,12H,1-2H3
InChIKey
KELSIGSZYNCJKO-UHFFFAOYSA-N
Compound name
2-(2-methylprop-1-enyl)-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.0739 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.6
[M+Na]+ 216.063118 147.0
[M-H]- 192.066624 142.4
[M+NH4]+ 211.107723 158.0
[M+K]+ 232.037058 140.7
[M+H-H2O]+ 176.071160 138.9
[M+HCOO]- 238.072101 163.1
[M+CH3COO]- 252.087751 176.2
[M+Na-2H]- 214.048566 145.1
[M]+ 193.07335142 137.8
[M]- 193.07444858 137.8
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

patents stripe