CID 6433446

Ether, 2-butenyl propenyl, (e,e)-

Structural Information

Molecular Formula
C7H12O
SMILES
C/C=C/CO/C=C/C
InChI
InChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+
InChIKey
QOCZFYYPDLVJLP-GGWOSOGESA-N
Compound name
(E)-1-[(E)-prop-1-enoxy]but-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

112.08881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 123.3
[M+Na]+ 135.07803 130.9
[M-H]- 111.08153 123.6
[M+NH4]+ 130.12263 146.4
[M+K]+ 151.05197 129.9
[M+H-H2O]+ 95.086070 119.1
[M+HCOO]- 157.08701 147.5
[M+CH3COO]- 171.10266 169.1
[M+Na-2H]- 133.06348 130.1
[M]+ 112.08826 124.9
[M]- 112.08936 124.9
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

patents stripe