CID 10867191

N-phenylvaline

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)[C@@H](C(=O)O)NC1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-8(2)10(11(13)14)12-9-6-4-3-5-7-9/h3-8,10,12H,1-2H3,(H,13,14)/t10-/m0/s1
InChIKey
MBRPCSKHPRLQQQ-JTQLQIEISA-N
Compound name
(2S)-2-anilino-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

193.11028 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 144.1
[M+Na]+ 216.09950 148.8
[M-H]- 192.10300 146.0
[M+NH4]+ 211.14410 162.2
[M+K]+ 232.07344 147.3
[M+H-H2O]+ 176.10754 138.0
[M+HCOO]- 238.10848 165.2
[M+CH3COO]- 252.12413 185.4
[M+Na-2H]- 214.08495 147.2
[M]+ 193.10973 142.3
[M]- 193.11083 142.3
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