CID 6993120

H-val-phe-oh

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N
InChI
InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
InChIKey
GJNDXQBALKCYSZ-RYUDHWBXSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1400
Patents

264.1474 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 164.6
[M+Na]+ 287.13662 166.8
[M-H]- 263.14012 165.5
[M+NH4]+ 282.18122 178.8
[M+K]+ 303.11056 165.6
[M+H-H2O]+ 247.14466 157.4
[M+HCOO]- 309.14560 183.4
[M+CH3COO]- 323.16125 201.6
[M+Na-2H]- 285.12207 162.8
[M]+ 264.14685 161.4
[M]- 264.14795 161.4
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