CID 16216988

Allyl (s)-3-amino-4-phenylbutyrate hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C=CCOC(=O)C[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C13H17NO2/c1-2-8-16-13(15)10-12(14)9-11-6-4-3-5-7-11/h2-7,12H,1,8-10,14H2/t12-/m0/s1
InChIKey
JPSSMRKWVJBAMR-LBPRGKRZSA-N
Compound name
prop-2-enyl (3S)-3-amino-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 152.0
[M+Na]+ 242.11515 162.0
[M+NH4]+ 237.15975 159.0
[M+K]+ 258.08909 156.1
[M-H]- 218.11865 153.4
[M+Na-2H]- 240.10060 157.0
[M]+ 219.12538 153.5
[M]- 219.12648 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.