CID 118997537

1638765-26-0

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)CO
InChI
InChI=1S/C11H19NO3/c1-9(2,3)15-8(14)12-11-4-10(5-11,6-11)7-13/h13H,4-7H2,1-3H3,(H,12,14)
InChIKey
XXSVTBQQRZBFHL-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

213.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 168.5
[M+Na]+ 236.12571 163.4
[M+NH4]+ 231.17031 166.8
[M+K]+ 252.09965 161.7
[M-H]- 212.12921 160.0
[M+Na-2H]- 234.11116 162.9
[M]+ 213.13594 162.6
[M]- 213.13704 162.6
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