CID 252321

Cis-1,2-dimethylcyclopropane

Structural Information

Molecular Formula
C5H10
SMILES
C[C@@H]1C[C@@H]1C
InChI
InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+
InChIKey
VKJLDXGFBJBTRQ-SYDPRGILSA-N
Compound name
(1S,2R)-1,2-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

233
Patents

70.07825 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.085526 111.4
[M+Na]+ 93.067468 121.9
[M-H]- 69.070974 116.8
[M+NH4]+ 88.112073 131.5
[M+K]+ 109.04141 121.1
[M+H-H2O]+ 53.075510 106.5
[M+HCOO]- 115.07645 135.9
[M+CH3COO]- 129.09210 167.9
[M+Na-2H]- 91.052916 119.2
[M]+ 70.077701 113.8
[M]- 70.078799 113.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe