CID 85829006

4-(prop-2-yn-1-yloxy)butanal

Structural Information

Molecular Formula
C7H10O2
SMILES
C#CCOCCCC=O
InChI
InChI=1S/C7H10O2/c1-2-6-9-7-4-3-5-8/h1,5H,3-4,6-7H2
InChIKey
KPCMDPOLBZCQGK-UHFFFAOYSA-N
Compound name
4-prop-2-ynoxybutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.9
[M+Na]+ 149.05730 135.5
[M+NH4]+ 144.10190 129.1
[M+K]+ 165.03124 126.7
[M-H]- 125.06080 116.5
[M+Na-2H]- 147.04275 126.4
[M]+ 126.06753 123.0
[M]- 126.06863 123.0
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.