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

64
Patents

140.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 136.3
[M+Na]+ 163.072938 143.0
[M-H]- 139.076444 142.4
[M+NH4]+ 158.117543 145.7
[M+K]+ 179.046878 141.6
[M+H-H2O]+ 123.080980 130.9
[M+HCOO]- 185.081921 154.7
[M+CH3COO]- 199.097571 186.5
[M+Na-2H]- 161.058386 138.9
[M]+ 140.08317142 138.8
[M]- 140.08426858 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