CID 10421820

170508-15-3

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)CO
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-10-6-13(7-10)4-9(5-13)8-15/h9-10,15H,4-8H2,1-3H3,(H,14,16)
InChIKey
VHRSRHDORQXSSK-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-(hydroxymethyl)spiro[3.3]heptan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

241.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 168.1
[M+Na]+ 264.15702 166.4
[M+NH4]+ 259.20162 167.8
[M+K]+ 280.13096 164.6
[M-H]- 240.16052 163.0
[M+Na-2H]- 262.14247 165.9
[M]+ 241.16725 164.1
[M]- 241.16835 164.1
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