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

62
Patents

128.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 126.1
[M+Na]+ 151.072938 133.2
[M-H]- 127.076444 125.5
[M+NH4]+ 146.117543 147.7
[M+K]+ 167.046878 132.9
[M+H-H2O]+ 111.080980 122.8
[M+HCOO]- 173.081921 145.6
[M+CH3COO]- 187.097571 171.6
[M+Na-2H]- 149.058386 130.6
[M]+ 128.08317142 125.7
[M]- 128.08426858 125.7
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