CID 11147743

2-phenylprop-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C9H11N
SMILES
C=C(CN)C1=CC=CC=C1
InChI
InChI=1S/C9H11N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1,7,10H2
InChIKey
OWCNPQKNIWRGLI-UHFFFAOYSA-N
Compound name
2-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

767
Patents

133.08914 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 127.6
[M+Na]+ 156.078358 134.3
[M-H]- 132.081864 130.7
[M+NH4]+ 151.122963 148.9
[M+K]+ 172.052298 131.8
[M+H-H2O]+ 116.086400 122.0
[M+HCOO]- 178.087341 151.8
[M+CH3COO]- 192.102991 175.4
[M+Na-2H]- 154.063806 133.9
[M]+ 133.08859142 124.4
[M]- 133.08968858 124.4
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