CID 6486639

2-(allyloxy)aniline

Structural Information

Molecular Formula
C9H11NO
SMILES
C=CCOC1=CC=CC=C1N
InChI
InChI=1S/C9H11NO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2
InChIKey
VPZRVYLJWAJQRE-UHFFFAOYSA-N
Compound name
2-prop-2-enoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

137
Patents

149.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.9
[M+Na]+ 172.07328 137.8
[M-H]- 148.07678 133.3
[M+NH4]+ 167.11788 150.9
[M+K]+ 188.04722 135.4
[M+H-H2O]+ 132.08132 124.3
[M+HCOO]- 194.08226 155.4
[M+CH3COO]- 208.09791 177.7
[M+Na-2H]- 170.05873 136.8
[M]+ 149.08351 129.2
[M]- 149.08461 129.2
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