CID 130648899

Tert-butyln-[(2s)-2-amino-2-carbamoylethyl]carbamate

Structural Information

Molecular Formula
C8H17N3O3
SMILES
CC(C)(C)OC(=O)NC[C@@H](C(=O)N)N
InChI
InChI=1S/C8H17N3O3/c1-8(2,3)14-7(13)11-4-5(9)6(10)12/h5H,4,9H2,1-3H3,(H2,10,12)(H,11,13)/t5-/m0/s1
InChIKey
VWQUSJVIKUQXPE-YFKPBYRVSA-N
Compound name
tert-butyl N-[(2S)-2,3-diamino-3-oxopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.127 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13428 147.1
[M+Na]+ 226.11622 151.3
[M-H]- 202.11972 146.4
[M+NH4]+ 221.16082 164.6
[M+K]+ 242.09016 152.1
[M+H-H2O]+ 186.12426 141.3
[M+HCOO]- 248.12520 168.6
[M+CH3COO]- 262.14085 192.2
[M+Na-2H]- 224.10167 148.6
[M]+ 203.12645 144.7
[M]- 203.12755 144.7
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.