CID 138039620

2241139-53-5

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)(C)OC(=O)NCC1CCCC2(C1=O)CCC2
InChI
InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-10-11-6-4-7-15(12(11)17)8-5-9-15/h11H,4-10H2,1-3H3,(H,16,18)
InChIKey
FHXBCDBEIIABFY-UHFFFAOYSA-N
Compound name
tert-butyl N-[(9-oxospiro[3.5]nonan-8-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 163.7
[M+Na]+ 290.17266 165.9
[M-H]- 266.17616 168.0
[M+NH4]+ 285.21726 175.6
[M+K]+ 306.14660 167.8
[M+H-H2O]+ 250.18070 153.2
[M+HCOO]- 312.18164 179.5
[M+CH3COO]- 326.19729 201.1
[M+Na-2H]- 288.15811 166.4
[M]+ 267.18289 169.4
[M]- 267.18399 169.4
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.