CID 104896

(+-)-2-n-propyl-4-pentenoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCC(CC=C)C(=O)O
InChI
InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
InChIKey
UMYDNZXEHYSVFY-UHFFFAOYSA-N
Compound name
2-propylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

55
References

131
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.4
[M+Na]+ 165.08860 138.5
[M-H]- 141.09210 131.1
[M+NH4]+ 160.13320 153.2
[M+K]+ 181.06254 137.5
[M+H-H2O]+ 125.09664 128.0
[M+HCOO]- 187.09758 152.9
[M+CH3COO]- 201.11323 174.3
[M+Na-2H]- 163.07405 135.4
[M]+ 142.09883 132.7
[M]- 142.09993 132.7
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