CID 390096

Nsc687039

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)N=C1N(C(=O)ON1C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C14H27N3O2/c1-12(2,3)15-10-16(13(4,5)6)11(18)19-17(10)14(7,8)9/h1-9H3
InChIKey
KXHVZOQSPDTKTM-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-3-tert-butylimino-1,2,4-oxadiazolidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.21761 164.8
[M+Na]+ 292.19955 174.3
[M-H]- 268.20305 169.0
[M+NH4]+ 287.24415 181.0
[M+K]+ 308.17349 174.3
[M+H-H2O]+ 252.20759 159.3
[M+HCOO]- 314.20853 183.5
[M+CH3COO]- 328.22418 204.0
[M+Na-2H]- 290.18500 170.8
[M]+ 269.20978 170.7
[M]- 269.21088 170.7
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.