CID 204374

1-butoxy-3-(2-propynyloxy)-2-propanol carbamate

Structural Information

Molecular Formula
C11H19NO4
SMILES
CCCCOCC(COCC#C)OC(=O)N
InChI
InChI=1S/C11H19NO4/c1-3-5-7-15-9-10(16-11(12)13)8-14-6-4-2/h2,10H,3,5-9H2,1H3,(H2,12,13)
InChIKey
QVHMOUMPKVLIQG-UHFFFAOYSA-N
Compound name
(1-butoxy-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 151.5
[M+Na]+ 252.12063 158.4
[M+NH4]+ 247.16523 153.2
[M+K]+ 268.09457 151.7
[M-H]- 228.12413 141.5
[M+Na-2H]- 250.10608 149.6
[M]+ 229.13086 148.3
[M]- 229.13196 148.3
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.