CID 138039719

2241130-86-7

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)NCC1CCC2(C1=O)CCC2
InChI
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-10-5-8-14(11(10)16)6-4-7-14/h10H,4-9H2,1-3H3,(H,15,17)
InChIKey
YFQFBZNKAAXHAY-UHFFFAOYSA-N
Compound name
tert-butyl N-[(8-oxospiro[3.4]octan-7-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 159.9
[M+Na]+ 276.157018 163.1
[M-H]- 252.160524 164.9
[M+NH4]+ 271.201623 174.2
[M+K]+ 292.130958 164.7
[M+H-H2O]+ 236.165060 150.5
[M+HCOO]- 298.166001 178.1
[M+CH3COO]- 312.181651 197.7
[M+Na-2H]- 274.142466 162.1
[M]+ 253.16725142 167.3
[M]- 253.16834858 167.3
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.