CID 73700

4-vinylaniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

13
References

13282
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 121.9
[M+Na]+ 142.06272 130.2
[M-H]- 118.06622 125.6
[M+NH4]+ 137.10732 144.2
[M+K]+ 158.03666 127.6
[M+H-H2O]+ 102.07076 116.8
[M+HCOO]- 164.07170 147.5
[M+CH3COO]- 178.08735 172.6
[M+Na-2H]- 140.04817 129.4
[M]+ 119.07295 119.4
[M]- 119.07405 119.4
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