CID 121553669

(1,5-dimethyl-1h-pyrazol-3-yl)(thiophen-3-yl)methanol

Structural Information

Molecular Formula
C10H12N2OS
SMILES
CC1=CC(=NN1C)C(C2=CSC=C2)O
InChI
InChI=1S/C10H12N2OS/c1-7-5-9(11-12(7)2)10(13)8-3-4-14-6-8/h3-6,10,13H,1-2H3
InChIKey
MQSBBBQYKMXIFA-UHFFFAOYSA-N
Compound name
(1,5-dimethylpyrazol-3-yl)-thiophen-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 143.9
[M+Na]+ 231.056248 155.1
[M-H]- 207.059754 148.6
[M+NH4]+ 226.100853 164.3
[M+K]+ 247.030188 152.0
[M+H-H2O]+ 191.064290 137.7
[M+HCOO]- 253.065231 162.9
[M+CH3COO]- 267.080881 157.9
[M+Na-2H]- 229.041696 143.5
[M]+ 208.06648142 148.0
[M]- 208.06757858 148.0
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

No patent data available for this compound.