CID 165942909

Tert-butyl n-{7,7-difluoro-2-formylspiro[3.5]nonan-2-yl}carbamate

Structural Information

Molecular Formula
C15H23F2NO3
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCC(CC2)(F)F)C=O
InChI
InChI=1S/C15H23F2NO3/c1-12(2,3)21-11(20)18-14(10-19)8-13(9-14)4-6-15(16,17)7-5-13/h10H,4-9H2,1-3H3,(H,18,20)
InChIKey
NOTQPHDCWQWCSI-UHFFFAOYSA-N
Compound name
tert-butyl N-(7,7-difluoro-2-formylspiro[3.5]nonan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1646 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17188 172.1
[M+Na]+ 326.15382 176.4
[M-H]- 302.15732 174.5
[M+NH4]+ 321.19842 186.4
[M+K]+ 342.12776 177.6
[M+H-H2O]+ 286.16186 162.5
[M+HCOO]- 348.16280 185.7
[M+CH3COO]- 362.17845 205.8
[M+Na-2H]- 324.13927 175.9
[M]+ 303.16405 176.4
[M]- 303.16515 176.4
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.