CID 10219519

1-phenylbut-3-en-1-amine

Structural Information

Molecular Formula
C10H13N
SMILES
C=CCC(C1=CC=CC=C1)N
InChI
InChI=1S/C10H13N/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6,11H2
InChIKey
FAOYSBDLLGZOKF-UHFFFAOYSA-N
Compound name
1-phenylbut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

915
Patents

147.1048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 132.3
[M+Na]+ 170.09402 138.5
[M-H]- 146.09752 135.2
[M+NH4]+ 165.13862 153.0
[M+K]+ 186.06796 135.8
[M+H-H2O]+ 130.10206 126.5
[M+HCOO]- 192.10300 156.2
[M+CH3COO]- 206.11865 178.5
[M+Na-2H]- 168.07947 138.0
[M]+ 147.10425 129.5
[M]- 147.10535 129.5
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