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]+ 141.09100 137.1
[M+Na]+ 163.07294 144.8
[M-H]- 139.07644 143.4
[M+NH4]+ 158.11754 146.7
[M+K]+ 179.04688 142.9
[M+H-H2O]+ 123.08098 131.7
[M+HCOO]- 185.08192 156.2
[M+CH3COO]- 199.09757 186.7
[M+Na-2H]- 161.05839 140.0
[M]+ 140.08317 140.4
[M]- 140.08427 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.