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

111
Patents

213.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.143766 174.9
[M+Na]+ 236.125708 176.3
[M-H]- 212.129214 176.5
[M+NH4]+ 231.170313 178.8
[M+K]+ 252.099648 182.6
[M+H-H2O]+ 196.133750 161.4
[M+HCOO]- 258.134691 184.9
[M+CH3COO]- 272.150341 213.2
[M+Na-2H]- 234.111156 179.4
[M]+ 213.13594142 199.6
[M]- 213.13703858 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