CID 86553

17354-63-1

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

2
References

41
Patents

193.0739 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe