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]+ 209.07431 143.9
[M+Na]+ 231.05625 155.1
[M-H]- 207.05975 148.6
[M+NH4]+ 226.10085 164.3
[M+K]+ 247.03019 152.0
[M+H-H2O]+ 191.06429 137.7
[M+HCOO]- 253.06523 162.9
[M+CH3COO]- 267.08088 157.9
[M+Na-2H]- 229.04170 143.5
[M]+ 208.06648 148.0
[M]- 208.06758 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.