CID 131847497

Rac-[(1r,2r)-2-(thiophen-3-yl)cyclopropyl]methanol

Structural Information

Molecular Formula
C8H10OS
SMILES
C1[C@H]([C@@H]1C2=CSC=C2)CO
InChI
InChI=1S/C8H10OS/c9-4-7-3-8(7)6-1-2-10-5-6/h1-2,5,7-9H,3-4H2/t7-,8-/m0/s1
InChIKey
SWPRYIDABUXSIR-YUMQZZPRSA-N
Compound name
[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.04524 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 124.0
[M+Na]+ 177.03446 134.4
[M-H]- 153.03796 130.9
[M+NH4]+ 172.07906 142.1
[M+K]+ 193.00840 131.0
[M+H-H2O]+ 137.04250 118.7
[M+HCOO]- 199.04344 143.7
[M+CH3COO]- 213.05909 175.1
[M+Na-2H]- 175.01991 127.0
[M]+ 154.04469 127.7
[M]- 154.04579 127.7
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

patents stripe