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 153.7
[M+Na]+ 252.12063 160.5
[M-H]- 228.12413 152.5
[M+NH4]+ 247.16523 169.2
[M+K]+ 268.09457 160.6
[M+H-H2O]+ 212.12867 142.3
[M+HCOO]- 274.12961 168.6
[M+CH3COO]- 288.14526 199.5
[M+Na-2H]- 250.10608 155.1
[M]+ 229.13086 151.7
[M]- 229.13196 151.7
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.