CID 459251

3-(allyloxy)aniline hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
C=CCOC1=CC=CC(=C1)N
InChI
InChI=1S/C9H11NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6,10H2
InChIKey
HQZRFXBFXJEYID-UHFFFAOYSA-N
Compound name
3-prop-2-enoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

149.08406 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe