CID 155822220

Rac-(1r,2r)-2-(thiophen-3-yl)cyclopropane-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 124.9
[M+Na]+ 175.01881 136.0
[M-H]- 151.02231 133.3
[M+NH4]+ 170.06341 143.8
[M+K]+ 190.99275 133.0
[M+H-H2O]+ 135.02685 119.4
[M+HCOO]- 197.02779 146.2
[M+CH3COO]- 211.04344 176.8
[M+Na-2H]- 173.00426 128.1
[M]+ 152.02904 129.6
[M]- 152.03014 129.6
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.