CID 54758968

Tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCO2
InChI
InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-6-10(7-11)4-5-13-10/h4-7H2,1-3H3
InChIKey
QOXFRPSIASGKGE-UHFFFAOYSA-N
Compound name
tert-butyl 1-oxa-6-azaspiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

199.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 135.5
[M+Na]+ 222.11007 139.3
[M-H]- 198.11357 140.1
[M+NH4]+ 217.15467 141.4
[M+K]+ 238.08401 146.2
[M+H-H2O]+ 182.11811 122.3
[M+HCOO]- 244.11905 150.1
[M+CH3COO]- 258.13470 194.5
[M+Na-2H]- 220.09552 142.1
[M]+ 199.12030 153.0
[M]- 199.12140 153.0
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