CID 203732

15083-36-0

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1=NN(C(=C1)OCCCO)CC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O2/c1-12-10-14(18-9-5-8-17)16(15-12)11-13-6-3-2-4-7-13/h2-4,6-7,10,17H,5,8-9,11H2,1H3
InChIKey
RJPPLQKWBIGOQI-UHFFFAOYSA-N
Compound name
3-(2-benzyl-5-methylpyrazol-3-yl)oxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.5
[M+Na]+ 269.12605 164.4
[M-H]- 245.12955 159.3
[M+NH4]+ 264.17065 172.4
[M+K]+ 285.09999 160.6
[M+H-H2O]+ 229.13409 148.1
[M+HCOO]- 291.13503 178.0
[M+CH3COO]- 305.15068 191.0
[M+Na-2H]- 267.11150 160.1
[M]+ 246.13628 159.2
[M]- 246.13738 159.2
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.