CID 12992810

362718-83-0

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1CC(C1)(C2=NC=CS2)O
InChI
InChI=1S/C7H9NOS/c9-7(2-1-3-7)6-8-4-5-10-6/h4-5,9H,1-3H2
InChIKey
DZVAUUDEBFFNFY-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

155.04048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 124.8
[M+Na]+ 178.02970 131.6
[M-H]- 154.03320 129.2
[M+NH4]+ 173.07430 141.4
[M+K]+ 194.00364 132.3
[M+H-H2O]+ 138.03774 114.7
[M+HCOO]- 200.03868 141.4
[M+CH3COO]- 214.05433 172.8
[M+Na-2H]- 176.01515 128.8
[M]+ 155.03993 133.2
[M]- 155.04103 133.2
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