CID 138111966

Tert-butyl n-{7-oxospiro[3.5]nonan-2-yl}carbamate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CCC(=O)CC2
InChI
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-10-8-14(9-10)6-4-11(16)5-7-14/h10H,4-9H2,1-3H3,(H,15,17)
InChIKey
ACQHHXXCXSDMLQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-oxospiro[3.5]nonan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 159.1
[M+Na]+ 276.15702 161.7
[M-H]- 252.16052 163.7
[M+NH4]+ 271.20162 171.6
[M+K]+ 292.13096 163.8
[M+H-H2O]+ 236.16506 148.8
[M+HCOO]- 298.16600 175.2
[M+CH3COO]- 312.18165 198.1
[M+Na-2H]- 274.14247 162.4
[M]+ 253.16725 164.5
[M]- 253.16835 164.5
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