CID 88493603

2-bromohept-6-enoic acid

Structural Information

Molecular Formula
C7H11BrO2
SMILES
C=CCCCC(C(=O)O)Br
InChI
InChI=1S/C7H11BrO2/c1-2-3-4-5-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)
InChIKey
VWTUPBYRRSLSCC-UHFFFAOYSA-N
Compound name
2-bromohept-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001526 138.8
[M+Na]+ 228.983468 148.6
[M-H]- 204.986974 140.3
[M+NH4]+ 224.028073 160.4
[M+K]+ 244.957408 137.9
[M+H-H2O]+ 188.991510 139.4
[M+HCOO]- 250.992451 157.1
[M+CH3COO]- 265.008101 182.0
[M+Na-2H]- 226.968916 143.3
[M]+ 205.99370142 156.9
[M]- 205.99479858 156.9
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

patents stripe