CID 1581890

2483-47-8

Structural Information

Molecular Formula
C12H22N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC=O)C(=O)O
InChI
InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)/t9-/m0/s1
InChIKey
QYCPNUMTVZBTMM-VIFPVBQESA-N
Compound name
(2S)-6-formamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

274.15286 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.160136 164.7
[M+Na]+ 297.142078 167.7
[M-H]- 273.145584 162.8
[M+NH4]+ 292.186683 179.3
[M+K]+ 313.116018 167.8
[M+H-H2O]+ 257.150120 158.6
[M+HCOO]- 319.151061 184.3
[M+CH3COO]- 333.166711 201.1
[M+Na-2H]- 295.127526 166.0
[M]+ 274.15231142 167.0
[M]- 274.15340858 167.0
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