CID 3456032

3-methylpent-4-enoic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
CC(CC(=O)O)C=C
InChI
InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKey
QNPZXLANENFTFK-UHFFFAOYSA-N
Compound name
3-methylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
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 123.9
[M+Na]+ 137.05730 133.4
[M+NH4]+ 132.10190 131.0
[M+K]+ 153.03124 129.2
[M-H]- 113.06080 122.1
[M+Na-2H]- 135.04275 126.5
[M]+ 114.06753 124.3
[M]- 114.06863 124.3
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

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