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]+ 183.10158 135.2
[M+Na]+ 205.08352 142.9
[M-H]- 181.08702 137.1
[M+NH4]+ 200.12812 151.7
[M+K]+ 221.05746 140.9
[M+H-H2O]+ 165.09156 123.5
[M+HCOO]- 227.09250 150.1
[M+CH3COO]- 241.10815 186.1
[M+Na-2H]- 203.06897 140.7
[M]+ 182.09375 129.6
[M]- 182.09485 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.