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

767
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 164.8
[M+Na]+ 297.15332 166.1
[M+NH4]+ 292.19792 166.9
[M+K]+ 313.12726 166.6
[M-H]- 273.15682 161.2
[M+Na-2H]- 295.13877 162.6
[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

literature stripe

Patent stripe

patents stripe