CID 122243106

Tert-butyl n-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C8H14N4O3
SMILES
CC(C)(C)OC(=O)NCC1=NN=C(O1)N
InChI
InChI=1S/C8H14N4O3/c1-8(2,3)15-7(13)10-4-5-11-12-6(9)14-5/h4H2,1-3H3,(H2,9,12)(H,10,13)
InChIKey
LNJZMLNNJYPCIH-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.1066 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11388 147.8
[M+Na]+ 237.09582 155.1
[M-H]- 213.09932 149.5
[M+NH4]+ 232.14042 163.6
[M+K]+ 253.06976 155.7
[M+H-H2O]+ 197.10386 140.5
[M+HCOO]- 259.10480 169.6
[M+CH3COO]- 273.12045 188.7
[M+Na-2H]- 235.08127 153.6
[M]+ 214.10605 149.6
[M]- 214.10715 149.6
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.