CID 146049027

Rac-(2r,3r)-2,3-dimethylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C6H10O
SMILES
C[C@@H]1[C@H](C1C=O)C
InChI
InChI=1S/C6H10O/c1-4-5(2)6(4)3-7/h3-6H,1-2H3/t4-,5-/m1/s1
InChIKey
FPSHSZCTDMOOCM-RFZPGFLSSA-N
Compound name
trans-(2R,3R)-2,3-dimethylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

98.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 117.7
[M+Na]+ 121.062384 129.0
[M-H]- 97.065890 123.3
[M+NH4]+ 116.106989 136.9
[M+K]+ 137.036324 127.4
[M+H-H2O]+ 81.070426 112.9
[M+HCOO]- 143.071367 142.2
[M+CH3COO]- 157.087017 172.8
[M+Na-2H]- 119.047832 124.2
[M]+ 98.07261742 121.6
[M]- 98.07371458 121.6
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.