CID 11094634

2,2,3-trimethylbut-3-enoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(=C)C(C)(C)C(=O)O
InChI
InChI=1S/C7H12O2/c1-5(2)7(3,4)6(8)9/h1H2,2-4H3,(H,8,9)
InChIKey
SZVHSAUMBGHOSC-UHFFFAOYSA-N
Compound name
2,2,3-trimethylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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 128.0
[M+Na]+ 151.07294 137.0
[M+NH4]+ 146.11754 134.8
[M+K]+ 167.04688 133.9
[M-H]- 127.07644 125.5
[M+Na-2H]- 149.05839 130.3
[M]+ 128.08317 128.3
[M]- 128.08427 128.3
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

patents stripe