CID 84715948

1780605-77-7

Structural Information

Molecular Formula
C9H16N4O3
SMILES
CC(C)(C)OC(=O)NCCC1=NN=C(O1)N
InChI
InChI=1S/C9H16N4O3/c1-9(2,3)16-8(14)11-5-4-6-12-13-7(10)15-6/h4-5H2,1-3H3,(H2,10,13)(H,11,14)
InChIKey
SQNPACYFNLHCTR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12224 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12952 152.4
[M+Na]+ 251.11146 159.2
[M-H]- 227.11496 153.9
[M+NH4]+ 246.15606 167.6
[M+K]+ 267.08540 159.6
[M+H-H2O]+ 211.11950 144.8
[M+HCOO]- 273.12044 173.8
[M+CH3COO]- 287.13609 191.7
[M+Na-2H]- 249.09691 157.7
[M]+ 228.12169 154.5
[M]- 228.12279 154.5
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.