CID 165994287

Tert-butyl n-(2-methoxybut-3-yn-1-yl)carbamate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)NCC(C#C)OC
InChI
InChI=1S/C10H17NO3/c1-6-8(13-5)7-11-9(12)14-10(2,3)4/h1,8H,7H2,2-5H3,(H,11,12)
InChIKey
AQVBEKOZDSBKGE-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methoxybut-3-ynyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 147.3
[M+Na]+ 222.11007 154.8
[M-H]- 198.11357 146.9
[M+NH4]+ 217.15467 164.4
[M+K]+ 238.08401 154.8
[M+H-H2O]+ 182.11811 136.4
[M+HCOO]- 244.11905 163.0
[M+CH3COO]- 258.13470 194.9
[M+Na-2H]- 220.09552 150.1
[M]+ 199.12030 144.7
[M]- 199.12140 144.7
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.