CID 6140

L-phenylalanine

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey
COLNVLDHVKWLRT-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

31295
References

112277
Patents

165.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 135.1
[M+Na]+ 188.06820 140.9
[M-H]- 164.07170 136.8
[M+NH4]+ 183.11280 154.1
[M+K]+ 204.04214 139.1
[M+H-H2O]+ 148.07624 129.3
[M+HCOO]- 210.07718 157.2
[M+CH3COO]- 224.09283 177.8
[M+Na-2H]- 186.05365 139.5
[M]+ 165.07843 132.2
[M]- 165.07953 132.2
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.