CID 209841

2-phenylbutan-1-amine

Structural Information

Molecular Formula
C10H15N
SMILES
CCC(CN)C1=CC=CC=C1
InChI
InChI=1S/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3
InChIKey
PLWALTDUYKDGRF-UHFFFAOYSA-N
Compound name
2-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

555
Patents

149.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 133.6
[M+Na]+ 172.109668 139.5
[M-H]- 148.113174 136.5
[M+NH4]+ 167.154273 154.3
[M+K]+ 188.083608 137.4
[M+H-H2O]+ 132.117710 127.7
[M+HCOO]- 194.118651 157.3
[M+CH3COO]- 208.134301 179.4
[M+Na-2H]- 170.095116 139.3
[M]+ 149.11990142 131.5
[M]- 149.12099858 131.5
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