CID 119031720

2344685-61-4

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CC(C2(C1)COC2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-4-8(9(14)15)12(5-13)6-17-7-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
KOEYCRLDXMOAJA-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.1263 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 155.3
[M+Na]+ 280.11552 159.1
[M-H]- 256.11902 158.5
[M+NH4]+ 275.16012 166.3
[M+K]+ 296.08946 163.0
[M+H-H2O]+ 240.12356 146.2
[M+HCOO]- 302.12450 168.9
[M+CH3COO]- 316.14015 192.3
[M+Na-2H]- 278.10097 157.8
[M]+ 257.12575 164.2
[M]- 257.12685 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe