CID 105430140

1779428-05-5

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC1=C(C(=NN1)C)CCCO
InChI
InChI=1S/C8H14N2O/c1-6-8(4-3-5-11)7(2)10-9-6/h11H,3-5H2,1-2H3,(H,9,10)
InChIKey
KPSLMMMHDPNHFH-UHFFFAOYSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

154.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 134.3
[M+Na]+ 177.099828 143.1
[M-H]- 153.103334 132.9
[M+NH4]+ 172.144433 153.7
[M+K]+ 193.073768 140.2
[M+H-H2O]+ 137.107870 128.1
[M+HCOO]- 199.108811 154.5
[M+CH3COO]- 213.124461 172.8
[M+Na-2H]- 175.085276 138.1
[M]+ 154.11006142 134.0
[M]- 154.11115858 134.0
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