CID 75175982

3-(1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl)propan-1-ol

Structural Information

Molecular Formula
C8H11F3N2O
SMILES
CN1C(=CC(=N1)CCCO)C(F)(F)F
InChI
InChI=1S/C8H11F3N2O/c1-13-7(8(9,10)11)5-6(12-13)3-2-4-14/h5,14H,2-4H2,1H3
InChIKey
LFTUNITVEICFQD-UHFFFAOYSA-N
Compound name
3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08963 141.2
[M+Na]+ 231.07157 150.9
[M-H]- 207.07507 137.4
[M+NH4]+ 226.11617 159.1
[M+K]+ 247.04551 148.1
[M+H-H2O]+ 191.07961 132.5
[M+HCOO]- 253.08055 158.1
[M+CH3COO]- 267.09620 183.4
[M+Na-2H]- 229.05702 144.6
[M]+ 208.08180 138.6
[M]- 208.08290 138.6
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.