CID 114667

13726-76-6

Structural Information

Molecular Formula
C11H22N4O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1
InChIKey
HSQIYOPBCOPMSS-ZETCQYMHSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1084
Patents

274.1641 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17138 164.9
[M+Na]+ 297.15332 166.9
[M-H]- 273.15682 163.7
[M+NH4]+ 292.19792 179.0
[M+K]+ 313.12726 167.9
[M+H-H2O]+ 257.16136 158.0
[M+HCOO]- 319.16230 185.9
[M+CH3COO]- 333.17795 208.4
[M+Na-2H]- 295.13877 164.3
[M]+ 274.16355 162.8
[M]- 274.16465 162.8
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

No patent data available for this compound.