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
cis-(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]+ 153.036866 124.9
[M+Na]+ 175.018808 136.0
[M-H]- 151.022314 133.3
[M+NH4]+ 170.063413 143.8
[M+K]+ 190.992748 133.0
[M+H-H2O]+ 135.026850 119.4
[M+HCOO]- 197.027791 146.2
[M+CH3COO]- 211.043441 176.8
[M+Na-2H]- 173.004256 128.1
[M]+ 152.02904142 129.6
[M]- 152.03013858 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.