CID 22418648

Schembl6575441

Structural Information

Molecular Formula
C10H19N3O4
SMILES
CC(C)(C)OC(=O)CNC(=O)CNC(=O)CN
InChI
InChI=1S/C10H19N3O4/c1-10(2,3)17-9(16)6-13-8(15)5-12-7(14)4-11/h4-6,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKey
GRUYBDOPERJZCQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

245.13756 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14484 157.0
[M+Na]+ 268.12678 160.6
[M-H]- 244.13028 156.4
[M+NH4]+ 263.17138 173.0
[M+K]+ 284.10072 161.2
[M+H-H2O]+ 228.13482 150.7
[M+HCOO]- 290.13576 178.9
[M+CH3COO]- 304.15141 199.4
[M+Na-2H]- 266.11223 158.8
[M]+ 245.13701 157.1
[M]- 245.13811 157.1
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.