CID 89348296

1417551-36-0

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)C=O
InChI
InChI=1S/C14H23NO3/c1-12(2,3)18-11(17)15-14-7-4-13(10-16,5-8-14)6-9-14/h10H,4-9H2,1-3H3,(H,15,17)
InChIKey
NDFVBLMGZYGPJV-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-formyl-1-bicyclo[2.2.2]octanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

253.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 163.7
[M+Na]+ 276.15702 166.8
[M-H]- 252.16052 159.6
[M+NH4]+ 271.20162 188.5
[M+K]+ 292.13096 165.2
[M+H-H2O]+ 236.16506 159.6
[M+HCOO]- 298.16600 173.1
[M+CH3COO]- 312.18165 199.1
[M+Na-2H]- 274.14247 175.4
[M]+ 253.16725 165.9
[M]- 253.16835 165.9
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

patents stripe