CID 39872257

Tert-butyl n-{6-oxospiro[3.3]heptan-2-yl}carbamate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(=O)C2
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8H,4-7H2,1-3H3,(H,13,15)
InChIKey
HQXCHIODIJRHAT-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

225.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 148.4
[M+Na]+ 248.12571 151.1
[M-H]- 224.12921 153.4
[M+NH4]+ 243.17031 155.1
[M+K]+ 264.09965 156.2
[M+H-H2O]+ 208.13375 134.8
[M+HCOO]- 270.13469 164.8
[M+CH3COO]- 284.15034 202.0
[M+Na-2H]- 246.11116 152.1
[M]+ 225.13594 164.3
[M]- 225.13704 164.3
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

patents stripe