CID 55299642

2-(2,2-dimethylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CC1CC(=O)O)C
InChI
InChI=1S/C7H12O2/c1-7(2)4-5(7)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
VFUARBOQJAZFBL-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.8
[M+Na]+ 151.072938 135.8
[M-H]- 127.076444 129.9
[M+NH4]+ 146.117543 144.7
[M+K]+ 167.046878 134.6
[M+H-H2O]+ 111.080980 122.1
[M+HCOO]- 173.081921 147.5
[M+CH3COO]- 187.097571 174.3
[M+Na-2H]- 149.058386 131.8
[M]+ 128.08317142 129.2
[M]- 128.08426858 129.2
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