CID 5287737

(tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide

Structural Information

Molecular Formula
C11H21N3O4
SMILES
C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1
InChIKey
MNUWNIQGBRBQRE-YUMQZZPRSA-N
Compound name
tert-butyl N-[(2S)-1-[[(1S)-1-formamidoethyl]amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1532 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 161.5
[M+Na]+ 282.14242 164.4
[M-H]- 258.14592 161.4
[M+NH4]+ 277.18702 177.2
[M+K]+ 298.11636 165.8
[M+H-H2O]+ 242.15046 155.2
[M+HCOO]- 304.15140 182.7
[M+CH3COO]- 318.16705 203.9
[M+Na-2H]- 280.12787 162.7
[M]+ 259.15265 162.3
[M]- 259.15375 162.3
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

No patent data available for this compound.