CID 83417

2-methallyl-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
2
Annotation Hits

0
References

5
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 139.5
[M+Na]+ 216.063118 146.8
[M-H]- 192.066624 142.2
[M+NH4]+ 211.107723 157.7
[M+K]+ 232.037058 140.4
[M+H-H2O]+ 176.071160 138.7
[M+HCOO]- 238.072101 162.9
[M+CH3COO]- 252.087751 176.9
[M+Na-2H]- 214.048566 144.9
[M]+ 193.07335142 137.7
[M]- 193.07444858 137.7
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