CID 204375

16221-56-0

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OCC(COCC#C)OC(=O)N
InChI
InChI=1S/C11H19NO4/c1-5-6-14-7-9(16-10(12)13)8-15-11(2,3)4/h1,9H,6-8H2,2-4H3,(H2,12,13)
InChIKey
HKDWHYOQJVZUAB-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxy]-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 150.9
[M+Na]+ 252.12063 157.6
[M+NH4]+ 247.16523 152.5
[M+K]+ 268.09457 152.0
[M-H]- 228.12413 140.4
[M+Na-2H]- 250.10608 149.0
[M]+ 229.13086 147.7
[M]- 229.13196 147.7
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.