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

62
Patents

155.04048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 124.8
[M+Na]+ 178.029698 131.6
[M-H]- 154.033204 129.2
[M+NH4]+ 173.074303 141.4
[M+K]+ 194.003638 132.3
[M+H-H2O]+ 138.037740 114.7
[M+HCOO]- 200.038681 141.4
[M+CH3COO]- 214.054331 172.8
[M+Na-2H]- 176.015146 128.8
[M]+ 155.03993142 133.2
[M]- 155.04102858 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