CID 77857

13734-34-4

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
ZYJPUMXJBDHSIF-NSHDSACASA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

9595
Patents

265.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 161.6
[M+Na]+ 288.12062 169.5
[M+NH4]+ 283.16522 166.6
[M+K]+ 304.09456 166.7
[M-H]- 264.12412 160.6
[M+Na-2H]- 286.10607 164.9
[M]+ 265.13085 162.0
[M]- 265.13195 162.0
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