CID 23005918

2-(trimethyl-1h-pyrazol-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC1=C(C(=NN1C)C)CCO
InChI
InChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3
InChIKey
QESMYIFDOLAREQ-UHFFFAOYSA-N
Compound name
2-(1,3,5-trimethylpyrazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

154.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 132.9
[M+Na]+ 177.09983 143.1
[M-H]- 153.10333 133.3
[M+NH4]+ 172.14443 153.4
[M+K]+ 193.07377 141.1
[M+H-H2O]+ 137.10787 126.9
[M+HCOO]- 199.10881 154.6
[M+CH3COO]- 213.12446 176.6
[M+Na-2H]- 175.08528 136.6
[M]+ 154.11006 134.9
[M]- 154.11116 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe