CID 165908599

Tert-butyl n-(but-3-yn-1-yl)-n-(oxetan-3-yl)carbamate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N(CCC#C)C1COC1
InChI
InChI=1S/C12H19NO3/c1-5-6-7-13(10-8-15-9-10)11(14)16-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
FBNWDRVGWMOOQY-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-ynyl-N-(oxetan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 147.7
[M+Na]+ 248.12571 152.6
[M-H]- 224.12921 151.0
[M+NH4]+ 243.17031 157.2
[M+K]+ 264.09965 157.7
[M+H-H2O]+ 208.13375 131.1
[M+HCOO]- 270.13469 161.7
[M+CH3COO]- 284.15034 203.5
[M+Na-2H]- 246.11116 150.9
[M]+ 225.13594 153.0
[M]- 225.13704 153.0
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.