CID 121207999

2097963-98-7

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)OC(=O)NCC1(CC2(C1)CCC2)CO
InChI
InChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-9-14(10-16)7-13(8-14)5-4-6-13/h16H,4-10H2,1-3H3,(H,15,17)
InChIKey
FYPZUAJEKBOYCS-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 162.9
[M+Na]+ 278.172658 164.2
[M-H]- 254.176164 166.3
[M+NH4]+ 273.217263 169.5
[M+K]+ 294.146598 168.5
[M+H-H2O]+ 238.180700 150.3
[M+HCOO]- 300.181641 177.1
[M+CH3COO]- 314.197291 204.5
[M+Na-2H]- 276.158106 166.4
[M]+ 255.18289142 178.3
[M]- 255.18398858 178.3
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

No patent data available for this compound.