CID 155822220

(1r,2r)-2-thiophen-3-ylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C8H8OS
SMILES
C1[C@H]([C@@H]1C2=CSC=C2)C=O
InChI
InChI=1S/C8H8OS/c9-4-7-3-8(7)6-1-2-10-5-6/h1-2,4-5,7-8H,3H2/t7-,8-/m0/s1
InChIKey
BGJMOJPNAMGZRH-YUMQZZPRSA-N
Compound name
(1R,2R)-2-thiophen-3-ylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.02959 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 133.6
[M+Na]+ 175.01881 146.7
[M+NH4]+ 170.06341 144.0
[M+K]+ 190.99275 141.1
[M-H]- 151.02231 143.7
[M+Na-2H]- 173.00426 142.3
[M]+ 152.02904 139.9
[M]- 152.03014 139.9
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.