CID 165920557

Tert-butyl n-(4-methoxy-4-methylpent-1-yn-3-yl)carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC(C#C)C(C)(C)OC
InChI
InChI=1S/C12H21NO3/c1-8-9(12(5,6)15-7)13-10(14)16-11(2,3)4/h1,9H,2-7H3,(H,13,14)
InChIKey
SCGHCCPJRKFBNH-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methoxy-4-methylpent-1-yn-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 157.1
[M+Na]+ 250.14137 164.0
[M-H]- 226.14487 156.7
[M+NH4]+ 245.18597 173.2
[M+K]+ 266.11531 164.2
[M+H-H2O]+ 210.14941 146.5
[M+HCOO]- 272.15035 170.7
[M+CH3COO]- 286.16600 200.7
[M+Na-2H]- 248.12682 159.6
[M]+ 227.15160 154.6
[M]- 227.15270 154.6
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

No patent data available for this compound.