CID 57994915

1350362-73-0

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCNCCO1
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-6-4-10-5-7-13-11/h10H,4-7H2,1-3H3
InChIKey
RRKGAOLAOHJPBE-UHFFFAOYSA-N
Compound name
tert-butyl 1,2,5-oxadiazepane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

202.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.139016 140.4
[M+Na]+ 225.120958 143.3
[M-H]- 201.124464 141.0
[M+NH4]+ 220.165563 153.7
[M+K]+ 241.094898 148.2
[M+H-H2O]+ 185.129000 133.0
[M+HCOO]- 247.129941 153.6
[M+CH3COO]- 261.145591 181.5
[M+Na-2H]- 223.106406 145.5
[M]+ 202.13119142 135.0
[M]- 202.13228858 135.0
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

patents stripe