CID 14888418

5-(oxan-2-yloxy)pent-2-ynal

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CCOC(C1)OCCC#CC=O
InChI
InChI=1S/C10H14O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h7,10H,2,4-6,8-9H2
InChIKey
PCWRXIRXECXUJN-UHFFFAOYSA-N
Compound name
5-(oxan-2-yloxy)pent-2-ynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 135.2
[M+Na]+ 205.083518 142.9
[M-H]- 181.087024 137.1
[M+NH4]+ 200.128123 151.7
[M+K]+ 221.057458 140.9
[M+H-H2O]+ 165.091560 123.5
[M+HCOO]- 227.092501 150.1
[M+CH3COO]- 241.108151 186.1
[M+Na-2H]- 203.068966 140.7
[M]+ 182.09375142 129.6
[M]- 182.09484858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.