CID 15308

5-hexenoic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
C=CCCCC(=O)O
InChI
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
InChIKey
XUDOZULIAWNMIU-UHFFFAOYSA-N
Compound name
hex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

7149
Patents

114.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 122.8
[M+Na]+ 137.05730 130.0
[M-H]- 113.06080 121.8
[M+NH4]+ 132.10190 144.8
[M+K]+ 153.03124 129.1
[M+H-H2O]+ 97.065340 118.8
[M+HCOO]- 159.06628 145.0
[M+CH3COO]- 173.08193 167.4
[M+Na-2H]- 135.04275 128.2
[M]+ 114.06753 123.0
[M]- 114.06863 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

literature stripe

Patent stripe

patents stripe