CID 91800879

Tert-butyl 7-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)CO
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-12(8-13)4-9(5-14)6-16-12/h9,14H,4-8H2,1-3H3
InChIKey
IKNCPKYWSVUNAN-UHFFFAOYSA-N
Compound name
tert-butyl 7-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

243.14706 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 153.0
[M+Na]+ 266.13628 157.2
[M-H]- 242.13978 156.3
[M+NH4]+ 261.18088 165.0
[M+K]+ 282.11022 160.6
[M+H-H2O]+ 226.14432 143.9
[M+HCOO]- 288.14526 167.4
[M+CH3COO]- 302.16091 190.1
[M+Na-2H]- 264.12173 156.5
[M]+ 243.14651 161.9
[M]- 243.14761 161.9
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