CID 1551330

H-d-lys(z)-oh

Structural Information

Molecular Formula
C14H20N2O4
SMILES
C1=CC=C(C=C1)COC(=O)NCCCC[C@H](C(=O)O)N
InChI
InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKey
CKGCFBNYQJDIGS-GFCCVEGCSA-N
Compound name
(2R)-2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

707
Patents

280.1423 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 166.4
[M+Na]+ 303.13152 169.0
[M-H]- 279.13502 167.1
[M+NH4]+ 298.17612 180.0
[M+K]+ 319.10546 167.2
[M+H-H2O]+ 263.13956 158.6
[M+HCOO]- 325.14050 187.4
[M+CH3COO]- 339.15615 201.2
[M+Na-2H]- 301.11697 167.2
[M]+ 280.14175 165.8
[M]- 280.14285 165.8
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

patents stripe