CID 203731

15083-34-8

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1=NN(C(=C1)OCCCO)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2/c1-11-10-13(17-9-5-8-16)15(14-11)12-6-3-2-4-7-12/h2-4,6-7,10,16H,5,8-9H2,1H3
InChIKey
OFZQQCPXFPCOTJ-UHFFFAOYSA-N
Compound name
3-(5-methyl-2-phenylpyrazol-3-yl)oxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.0
[M+Na]+ 255.11041 160.3
[M-H]- 231.11391 155.0
[M+NH4]+ 250.15501 168.5
[M+K]+ 271.08435 156.7
[M+H-H2O]+ 215.11845 143.7
[M+HCOO]- 277.11939 173.8
[M+CH3COO]- 291.13504 188.0
[M+Na-2H]- 253.09586 156.1
[M]+ 232.12064 154.3
[M]- 232.12174 154.3
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.