CID 137944910

2287280-65-1

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NCC1CC2(CC(=O)C2)CO1
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-7-10-6-13(8-17-10)4-9(15)5-13/h10H,4-8H2,1-3H3,(H,14,16)
InChIKey
KTQUOXLHDKLKRF-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-oxo-6-oxaspiro[3.4]octan-7-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 155.7
[M+Na]+ 278.136278 159.0
[M-H]- 254.139784 161.4
[M+NH4]+ 273.180883 168.6
[M+K]+ 294.110218 162.5
[M+H-H2O]+ 238.144320 146.5
[M+HCOO]- 300.145261 173.5
[M+CH3COO]- 314.160911 196.9
[M+Na-2H]- 276.121726 159.7
[M]+ 255.14651142 164.7
[M]- 255.14760858 164.7
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.