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
2
Annotation Hits

0
References

35
Patents

154.04524 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 124.4
[M+Na]+ 177.034458 133.6
[M-H]- 153.037964 131.0
[M+NH4]+ 172.079063 142.2
[M+K]+ 193.008398 130.8
[M+H-H2O]+ 137.042500 118.9
[M+HCOO]- 199.043441 143.1
[M+CH3COO]- 213.059091 174.8
[M+Na-2H]- 175.019906 127.0
[M]+ 154.04469142 127.1
[M]- 154.04578858 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