CID 46937105

Homophenylalaninylmethane

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(=O)[C@H](CCC1=CC=CC=C1)N
InChI
InChI=1S/C11H15NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1
InChIKey
ZDTWNRLBYDWRII-NSHDSACASA-N
Compound name
(3S)-3-amino-5-phenylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

177.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 140.8
[M+Na]+ 200.10459 146.3
[M-H]- 176.10809 143.6
[M+NH4]+ 195.14919 160.1
[M+K]+ 216.07853 144.3
[M+H-H2O]+ 160.11263 134.6
[M+HCOO]- 222.11357 163.5
[M+CH3COO]- 236.12922 184.4
[M+Na-2H]- 198.09004 144.6
[M]+ 177.11482 139.1
[M]- 177.11592 139.1
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