CID 83417

2-(2-methylallyl)-6-nitrophenol

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=C)CC1=C(C(=CC=C1)[N+](=O)[O-])O
InChI
InChI=1S/C10H11NO3/c1-7(2)6-8-4-3-5-9(10(8)12)11(13)14/h3-5,12H,1,6H2,2H3
InChIKey
MBISKJZSPFHJSO-UHFFFAOYSA-N
Compound name
2-(2-methylprop-2-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]+ 194.08118 139.7
[M+Na]+ 216.06312 152.5
[M+NH4]+ 211.10772 147.3
[M+K]+ 232.03706 149.6
[M-H]- 192.06662 142.1
[M+Na-2H]- 214.04857 145.0
[M]+ 193.07335 142.0
[M]- 193.07445 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

patents stripe