CID 7010490

Z-orn-oh

Structural Information

Molecular Formula
C13H18N2O4
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN)C(=O)O
InChI
InChI=1S/C13H18N2O4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
ZYGRWJVRLNJIMR-NSHDSACASA-N
Compound name
(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

266.12665 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 162.2
[M+Na]+ 289.11587 168.9
[M+NH4]+ 284.16047 166.8
[M+K]+ 305.08981 165.7
[M-H]- 265.11937 161.9
[M+Na-2H]- 287.10132 164.9
[M]+ 266.12610 162.4
[M]- 266.12720 162.4
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