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]+ 285.180876 166.4
[M+Na]+ 307.162818 174.1
[M-H]- 283.166324 168.8
[M+NH4]+ 302.207423 180.7
[M+K]+ 323.136758 176.3
[M+H-H2O]+ 267.170860 158.8
[M+HCOO]- 329.171801 180.9
[M+CH3COO]- 343.187451 204.6
[M+Na-2H]- 305.148266 168.9
[M]+ 284.17305142 180.4
[M]- 284.17414858 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.