CID 22406973

Cyclopropyl(1,3-thiazol-2-yl)methanol

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1CC1C(C2=NC=CS2)O
InChI
InChI=1S/C7H9NOS/c9-6(5-1-2-5)7-8-3-4-10-7/h3-6,9H,1-2H2
InChIKey
OHNCVUCHEITZAD-UHFFFAOYSA-N
Compound name
cyclopropyl(1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

155.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 127.0
[M+Na]+ 178.029698 136.8
[M-H]- 154.033204 132.4
[M+NH4]+ 173.074303 143.5
[M+K]+ 194.003638 133.8
[M+H-H2O]+ 138.037740 120.8
[M+HCOO]- 200.038681 144.9
[M+CH3COO]- 214.054331 174.4
[M+Na-2H]- 176.015146 129.6
[M]+ 155.03993142 129.8
[M]- 155.04102858 129.8
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