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

15
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.8
[M+Na]+ 151.07294 135.8
[M-H]- 127.07644 129.9
[M+NH4]+ 146.11754 144.7
[M+K]+ 167.04688 134.6
[M+H-H2O]+ 111.08098 122.1
[M+HCOO]- 173.08192 147.5
[M+CH3COO]- 187.09757 174.3
[M+Na-2H]- 149.05839 131.8
[M]+ 128.08317 129.2
[M]- 128.08427 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