CID 15010006

2,2-dicyclopropylacetic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC1C(C2CC2)C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7(5-1-2-5)6-3-4-6/h5-7H,1-4H2,(H,9,10)
InChIKey
LAPHTVCKEMNVML-UHFFFAOYSA-N
Compound name
2,2-dicyclopropylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

140.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 136.3
[M+Na]+ 163.07294 143.0
[M-H]- 139.07644 142.4
[M+NH4]+ 158.11754 145.7
[M+K]+ 179.04688 141.6
[M+H-H2O]+ 123.08098 130.9
[M+HCOO]- 185.08192 154.7
[M+CH3COO]- 199.09757 186.5
[M+Na-2H]- 161.05839 138.9
[M]+ 140.08317 138.8
[M]- 140.08427 138.8
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