CID 98065

Alpha-cyclopropyl-2-thiophenemethanol

Structural Information

Molecular Formula
C8H10OS
SMILES
C1CC1C(C2=CC=CS2)O
InChI
InChI=1S/C8H10OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8-9H,3-4H2
InChIKey
PEZSCBMHDXNXQL-UHFFFAOYSA-N
Compound name
cyclopropyl(thiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

154.04524 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 124.4
[M+Na]+ 177.03446 133.6
[M-H]- 153.03796 131.0
[M+NH4]+ 172.07906 142.2
[M+K]+ 193.00840 130.8
[M+H-H2O]+ 137.04250 118.9
[M+HCOO]- 199.04344 143.1
[M+CH3COO]- 213.05909 174.8
[M+Na-2H]- 175.01991 127.0
[M]+ 154.04469 127.1
[M]- 154.04579 127.1
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