CID 10866459

Acetic acid, [(3-methyl-3-butenyl)oxy]-

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(=C)CCOCC(=O)O
InChI
InChI=1S/C7H12O3/c1-6(2)3-4-10-5-7(8)9/h1,3-5H2,2H3,(H,8,9)
InChIKey
SKNNRFLWLBLWOW-UHFFFAOYSA-N
Compound name
2-(3-methylbut-3-enoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 130.6
[M+Na]+ 167.067858 137.1
[M-H]- 143.071364 129.4
[M+NH4]+ 162.112463 151.3
[M+K]+ 183.041798 136.8
[M+H-H2O]+ 127.075900 126.1
[M+HCOO]- 189.076841 151.7
[M+CH3COO]- 203.092491 173.3
[M+Na-2H]- 165.053306 134.1
[M]+ 144.07809142 132.0
[M]- 144.07918858 132.0
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