CID 5469951

Nsc694682

Structural Information

Molecular Formula
C10H15BrO2
SMILES
C/C=C(/C(OCC=C)OCC=C)\Br
InChI
InChI=1S/C10H15BrO2/c1-4-7-12-10(9(11)6-3)13-8-5-2/h4-6,10H,1-2,7-8H2,3H3/b9-6-
InChIKey
HGZGFEKGYWBLPB-TWGQIWQCSA-N
Compound name
(Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02554 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03282 149.7
[M+Na]+ 269.01476 159.2
[M-H]- 245.01826 152.2
[M+NH4]+ 264.05936 170.6
[M+K]+ 284.98870 148.1
[M+H-H2O]+ 229.02280 149.8
[M+HCOO]- 291.02374 168.8
[M+CH3COO]- 305.03939 191.4
[M+Na-2H]- 267.00021 153.4
[M]+ 246.02499 170.1
[M]- 246.02609 170.1
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.