CID 373035

Nsc648868

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC1(CN(C2N1C(=O)C2(C)OC)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C14H24N2O4/c1-12(2,3)20-11(18)15-8-13(4,5)16-9(15)14(6,19-7)10(16)17/h9H,8H2,1-7H3
InChIKey
VRJIGFKCMJJHPV-UHFFFAOYSA-N
Compound name
tert-butyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 166.4
[M+Na]+ 307.16282 174.1
[M-H]- 283.16632 168.8
[M+NH4]+ 302.20742 180.7
[M+K]+ 323.13676 176.3
[M+H-H2O]+ 267.17086 158.8
[M+HCOO]- 329.17180 180.9
[M+CH3COO]- 343.18745 204.6
[M+Na-2H]- 305.14827 168.9
[M]+ 284.17305 180.4
[M]- 284.17415 180.4
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.