CID 130648899

873199-41-8

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]+ 204.134276 147.1
[M+Na]+ 226.116218 151.3
[M-H]- 202.119724 146.4
[M+NH4]+ 221.160823 164.6
[M+K]+ 242.090158 152.1
[M+H-H2O]+ 186.124260 141.3
[M+HCOO]- 248.125201 168.6
[M+CH3COO]- 262.140851 192.2
[M+Na-2H]- 224.101666 148.6
[M]+ 203.12645142 144.7
[M]- 203.12754858 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.