CID 10486934

306934-52-1

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC1[C@@H]2C[C@H]2CC(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)4-6-3-7(6)5-1-2-5/h5-7H,1-4H2,(H,9,10)/t6-,7-/m0/s1
InChIKey
ODRQUBXBOGGQBQ-BQBZGAKWSA-N
Compound name
2-[(1S,2S)-2-cyclopropylcyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 137.1
[M+Na]+ 163.072938 144.8
[M-H]- 139.076444 143.4
[M+NH4]+ 158.117543 146.7
[M+K]+ 179.046878 142.9
[M+H-H2O]+ 123.080980 131.7
[M+HCOO]- 185.081921 156.2
[M+CH3COO]- 199.097571 186.7
[M+Na-2H]- 161.058386 140.0
[M]+ 140.08317142 140.4
[M]- 140.08426858 140.4
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

No patent data available for this compound.