CID 11132998

Boc-l-lys(z)-ome

Structural Information

Molecular Formula
C20H30N2O6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C20H30N2O6/c1-20(2,3)28-19(25)22-16(17(23)26-4)12-8-9-13-21-18(24)27-14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKey
PUJVYJATJHQXRX-INIZCTEOSA-N
Compound name
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

394.2104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21768 196.6
[M+Na]+ 417.19962 197.5
[M-H]- 393.20312 198.6
[M+NH4]+ 412.24422 206.7
[M+K]+ 433.17356 197.6
[M+H-H2O]+ 377.20766 188.2
[M+HCOO]- 439.20860 215.9
[M+CH3COO]- 453.22425 224.0
[M+Na-2H]- 415.18507 196.3
[M]+ 394.20985 201.9
[M]- 394.21095 201.9
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