CID 19616519

1006480-06-3

Structural Information

Molecular Formula
C7H11ClN2O
SMILES
CC1=C(C(=NN1CCO)C)Cl
InChI
InChI=1S/C7H11ClN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3
InChIKey
ZPGSKABZTAMJDN-UHFFFAOYSA-N
Compound name
2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.05598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.063256 134.6
[M+Na]+ 197.045198 145.8
[M-H]- 173.048704 134.8
[M+NH4]+ 192.089803 155.0
[M+K]+ 213.019138 142.1
[M+H-H2O]+ 157.053240 129.0
[M+HCOO]- 219.054181 151.9
[M+CH3COO]- 233.069831 177.4
[M+Na-2H]- 195.030646 138.2
[M]+ 174.05543142 137.8
[M]- 174.05652858 137.8
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

No patent data available for this compound.