CID 606259

1-methoxy-3-(2-nitroprop-1-enyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

193.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.5
[M+Na]+ 216.063118 147.4
[M-H]- 192.066624 144.3
[M+NH4]+ 211.107723 159.2
[M+K]+ 232.037058 141.9
[M+H-H2O]+ 176.071160 139.2
[M+HCOO]- 238.072101 165.4
[M+CH3COO]- 252.087751 177.9
[M+Na-2H]- 214.048566 147.0
[M]+ 193.07335142 140.1
[M]- 193.07444858 140.1
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