CID 3062841

Pyrazole-3-methanol, 4-chloro-alpha,alpha-diethyl-

Structural Information

Molecular Formula
C8H13ClN2O
SMILES
CCC(CC)(C1=C(C=NN1)Cl)O
InChI
InChI=1S/C8H13ClN2O/c1-3-8(12,4-2)7-6(9)5-10-11-7/h5,12H,3-4H2,1-2H3,(H,10,11)
InChIKey
MOPPPDCERVKKOI-UHFFFAOYSA-N
Compound name
3-(4-chloro-1H-pyrazol-5-yl)pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.07164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07892 141.6
[M+Na]+ 211.06086 150.4
[M-H]- 187.06436 139.9
[M+NH4]+ 206.10546 160.1
[M+K]+ 227.03480 146.0
[M+H-H2O]+ 171.06890 136.0
[M+HCOO]- 233.06984 155.4
[M+CH3COO]- 247.08549 175.9
[M+Na-2H]- 209.04631 146.2
[M]+ 188.07109 141.9
[M]- 188.07219 141.9
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