CID 5364407

2,3-dimethylpent-2-enoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC/C(=C(\C)/C(=O)O)/C
InChI
InChI=1S/C7H12O2/c1-4-5(2)6(3)7(8)9/h4H2,1-3H3,(H,8,9)/b6-5+
InChIKey
URRYFCLLPGIYQS-AATRIKPKSA-N
Compound name
(E)-2,3-dimethylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

128.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.7
[M+Na]+ 151.072938 134.2
[M-H]- 127.076444 126.8
[M+NH4]+ 146.117543 149.2
[M+K]+ 167.046878 133.9
[M+H-H2O]+ 111.080980 123.7
[M+HCOO]- 173.081921 147.7
[M+CH3COO]- 187.097571 171.5
[M+Na-2H]- 149.058386 130.1
[M]+ 128.08317142 127.0
[M]- 128.08426858 127.0
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