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 122.0
[M+Na]+ 149.05730 131.7
[M-H]- 125.06080 121.9
[M+NH4]+ 144.10190 142.1
[M+K]+ 165.03124 130.4
[M+H-H2O]+ 109.06534 111.7
[M+HCOO]- 171.06628 140.8
[M+CH3COO]- 185.08193 180.8
[M+Na-2H]- 147.04275 128.4
[M]+ 126.06753 120.0
[M]- 126.06863 120.0
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.