CID 14417127

3-methyl-2-methylidenepentanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC(C)C(=C)C(=O)O
InChI
InChI=1S/C7H12O2/c1-4-5(2)6(3)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
NCHQMEOXQMCVJJ-UHFFFAOYSA-N
Compound name
3-methyl-2-methylidenepentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

777
Patents

128.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 128.5
[M+Na]+ 151.07294 137.4
[M+NH4]+ 146.11754 135.3
[M+K]+ 167.04688 133.9
[M-H]- 127.07644 126.4
[M+Na-2H]- 149.05839 130.5
[M]+ 128.08317 128.8
[M]- 128.08427 128.8
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