CID 445694

Phenylalanine amide

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N)N
InChI
InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
InChIKey
OBSIQMZKFXFYLV-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

4107
Patents

164.09496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 135.9
[M+Na]+ 187.08418 141.3
[M-H]- 163.08768 138.4
[M+NH4]+ 182.12878 155.0
[M+K]+ 203.05812 139.4
[M+H-H2O]+ 147.09222 129.5
[M+HCOO]- 209.09316 159.6
[M+CH3COO]- 223.10881 182.7
[M+Na-2H]- 185.06963 139.9
[M]+ 164.09441 131.6
[M]- 164.09551 131.6
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.