CID 139026887

2361644-49-5

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NCC1CC(=O)C12CCC2
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-9-7-10(15)13(9)5-4-6-13/h9H,4-8H2,1-3H3,(H,14,16)
InChIKey
GYELLXXRNBKJBX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-oxospiro[3.3]heptan-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 166.9
[M+Na]+ 262.14137 165.6
[M+NH4]+ 257.18597 166.6
[M+K]+ 278.11531 163.6
[M-H]- 238.14487 162.0
[M+Na-2H]- 260.12682 165.1
[M]+ 239.15160 163.0
[M]- 239.15270 163.0
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

No patent data available for this compound.