CID 83390687

En300-1637409

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)N1C(=CC=N1)CCO
InChI
InChI=1S/C8H14N2O/c1-7(2)10-8(4-6-11)3-5-9-10/h3,5,7,11H,4,6H2,1-2H3
InChIKey
TZAGEYUFEAHVOE-UHFFFAOYSA-N
Compound name
2-(2-propan-2-ylpyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 134.1
[M+Na]+ 177.09983 142.1
[M-H]- 153.10333 133.8
[M+NH4]+ 172.14443 153.9
[M+K]+ 193.07377 140.7
[M+H-H2O]+ 137.10787 127.4
[M+HCOO]- 199.10881 154.9
[M+CH3COO]- 213.12446 175.1
[M+Na-2H]- 175.08528 138.0
[M]+ 154.11006 134.7
[M]- 154.11116 134.7
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.