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]+ 230.138686 153.7
[M+Na]+ 252.120628 160.5
[M-H]- 228.124134 152.5
[M+NH4]+ 247.165233 169.2
[M+K]+ 268.094568 160.6
[M+H-H2O]+ 212.128670 142.3
[M+HCOO]- 274.129611 168.6
[M+CH3COO]- 288.145261 199.5
[M+Na-2H]- 250.106076 155.1
[M]+ 229.13086142 151.7
[M]- 229.13195858 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.