CID 178201039

Tert-butyl n-[3-(1-hydroxyprop-2-yn-1-yl)bicyclo[1.1.1]pentan-1-yl]carbamate

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)C(C#C)O
InChI
InChI=1S/C13H19NO3/c1-5-9(15)12-6-13(7-12,8-12)14-10(16)17-11(2,3)4/h1,9,15H,6-8H2,2-4H3,(H,14,16)
InChIKey
XEWVSXFSJOHYPF-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(1-hydroxyprop-2-ynyl)-1-bicyclo[1.1.1]pentanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 177.7
[M+Na]+ 260.12571 180.3
[M-H]- 236.12921 178.9
[M+NH4]+ 255.17031 180.5
[M+K]+ 276.09965 186.3
[M+H-H2O]+ 220.13375 161.2
[M+HCOO]- 282.13469 183.4
[M+CH3COO]- 296.15034 221.2
[M+Na-2H]- 258.11116 180.0
[M]+ 237.13594 195.7
[M]- 237.13704 195.7
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.