CID 13879152

3-(prop-1-en-2-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

133.08914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 127.1
[M+Na]+ 156.078358 134.7
[M-H]- 132.081864 130.6
[M+NH4]+ 151.122963 148.7
[M+K]+ 172.052298 132.3
[M+H-H2O]+ 116.086400 121.8
[M+HCOO]- 178.087341 151.3
[M+CH3COO]- 192.102991 176.5
[M+Na-2H]- 154.063806 132.7
[M]+ 133.08859142 124.3
[M]- 133.08968858 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