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

136
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 174.9
[M+Na]+ 236.12571 176.3
[M-H]- 212.12921 176.5
[M+NH4]+ 231.17031 178.8
[M+K]+ 252.09965 182.6
[M+H-H2O]+ 196.13375 161.4
[M+HCOO]- 258.13469 184.9
[M+CH3COO]- 272.15034 213.2
[M+Na-2H]- 234.11116 179.4
[M]+ 213.13594 199.6
[M]- 213.13704 199.6
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