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

6
Patents

155.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 127.0
[M+Na]+ 178.02970 136.8
[M-H]- 154.03320 132.4
[M+NH4]+ 173.07430 143.5
[M+K]+ 194.00364 133.8
[M+H-H2O]+ 138.03774 120.8
[M+HCOO]- 200.03868 144.9
[M+CH3COO]- 214.05433 174.4
[M+Na-2H]- 176.01515 129.6
[M]+ 155.03993 129.8
[M]- 155.04103 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