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]+ 256.19072 162.9
[M+Na]+ 278.17266 164.2
[M-H]- 254.17616 166.3
[M+NH4]+ 273.21726 169.5
[M+K]+ 294.14660 168.5
[M+H-H2O]+ 238.18070 150.3
[M+HCOO]- 300.18164 177.1
[M+CH3COO]- 314.19729 204.5
[M+Na-2H]- 276.15811 166.4
[M]+ 255.18289 178.3
[M]- 255.18399 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.