CID 96494

2-isopropenylaniline

Structural Information

Molecular Formula
C9H11N
SMILES
CC(=C)C1=CC=CC=C1N
InChI
InChI=1S/C9H11N/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1,10H2,2H3
InChIKey
HEDYZFYQYPWWCC-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1107
Patents

133.08914 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 127.1
[M+Na]+ 156.07836 134.7
[M-H]- 132.08186 130.6
[M+NH4]+ 151.12296 148.7
[M+K]+ 172.05230 132.3
[M+H-H2O]+ 116.08640 121.8
[M+HCOO]- 178.08734 151.3
[M+CH3COO]- 192.10299 176.5
[M+Na-2H]- 154.06381 132.7
[M]+ 133.08859 124.3
[M]- 133.08969 124.3
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