CID 155970637

En300-2951498

Structural Information

Molecular Formula
C7H12O2
SMILES
CC[C@@H]1C[C@H]1CC(=O)O
InChI
InChI=1S/C7H12O2/c1-2-5-3-6(5)4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m1/s1
InChIKey
QFOJGQPRLFTAOD-RITPCOANSA-N
Compound name
2-[(1S,2R)-2-ethylcyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.7
[M+Na]+ 151.07294 135.0
[M-H]- 127.07644 129.4
[M+NH4]+ 146.11754 142.6
[M+K]+ 167.04688 132.9
[M+H-H2O]+ 111.08098 120.5
[M+HCOO]- 173.08192 147.7
[M+CH3COO]- 187.09757 174.7
[M+Na-2H]- 149.05839 130.6
[M]+ 128.08317 128.6
[M]- 128.08427 128.6
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.