CID 53936680

2-cyclopropyl-2-methylpropanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)(C1CC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-7(2,6(8)9)5-3-4-5/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
UNNZYCYDGUQDDK-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

128.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.7
[M+Na]+ 151.072938 134.5
[M-H]- 127.076444 129.3
[M+NH4]+ 146.117543 142.4
[M+K]+ 167.046878 132.9
[M+H-H2O]+ 111.080980 121.0
[M+HCOO]- 173.081921 146.3
[M+CH3COO]- 187.097571 173.9
[M+Na-2H]- 149.058386 131.9
[M]+ 128.08317142 127.9
[M]- 128.08426858 127.9
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