CID 86789

Benzene, 1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC(=CC1=C(C=CC(=C1)OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-7-10(15-2)4-5-11(9)16-3/h4-7H,1-3H3
InChIKey
MQFREHNTGKNSRH-UHFFFAOYSA-N
Compound name
1,4-dimethoxy-2-(2-nitroprop-1-enyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

223.08446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.6
[M+Na]+ 246.073678 154.9
[M-H]- 222.077184 151.6
[M+NH4]+ 241.118283 165.4
[M+K]+ 262.047618 149.7
[M+H-H2O]+ 206.081720 146.2
[M+HCOO]- 268.082661 172.4
[M+CH3COO]- 282.098311 184.1
[M+Na-2H]- 244.059126 153.1
[M]+ 223.08391142 149.4
[M]- 223.08500858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe