CID 4260041

3-vinylaniline

Structural Information

Molecular Formula
C8H9N
SMILES
C=CC1=CC(=CC=C1)N
InChI
InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
InChIKey
IFSSSYDVRQSDSG-UHFFFAOYSA-N
Compound name
3-ethenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1846
Patents

119.0735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 122.8
[M+Na]+ 142.06272 135.9
[M+NH4]+ 137.10732 132.4
[M+K]+ 158.03666 128.8
[M-H]- 118.06622 126.2
[M+Na-2H]- 140.04817 130.9
[M]+ 119.07295 125.6
[M]- 119.07405 125.6
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