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 150.4
[M+Na]+ 252.12063 156.9
[M-H]- 228.12413 148.8
[M+NH4]+ 247.16523 165.8
[M+K]+ 268.09457 156.4
[M+H-H2O]+ 212.12867 138.4
[M+HCOO]- 274.12961 166.8
[M+CH3COO]- 288.14526 199.7
[M+Na-2H]- 250.10608 151.4
[M]+ 229.13086 149.1
[M]- 229.13196 149.1
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.