CID 170918881

Tert-butyl n-{5-formylspiro[2.3]hexan-5-yl}carbamate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CC2)C=O
InChI
InChI=1S/C12H19NO3/c1-10(2,3)16-9(15)13-12(8-14)6-11(7-12)4-5-11/h8H,4-7H2,1-3H3,(H,13,15)
InChIKey
HNOJYPHDGFZXLR-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-formylspiro[2.3]hexan-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 154.9
[M+Na]+ 248.125708 161.5
[M-H]- 224.129214 161.4
[M+NH4]+ 243.170313 166.1
[M+K]+ 264.099648 163.7
[M+H-H2O]+ 208.133750 147.2
[M+HCOO]- 270.134691 173.8
[M+CH3COO]- 284.150341 195.4
[M+Na-2H]- 246.111156 161.3
[M]+ 225.13594142 167.2
[M]- 225.13703858 167.2
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.