CID 68602893

1897388-33-8

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC(C)OC1=CC=NN1
InChI
InChI=1S/C6H10N2O/c1-5(2)9-6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)
InChIKey
MVHJDJIICMGNQT-UHFFFAOYSA-N
Compound name
5-propan-2-yloxy-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

126.079315 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 125.3
[M+Na]+ 149.06853 133.2
[M-H]- 125.07204 124.9
[M+NH4]+ 144.11314 145.8
[M+K]+ 165.04247 132.3
[M+H-H2O]+ 109.07658 118.6
[M+HCOO]- 171.07752 146.7
[M+CH3COO]- 185.09317 168.0
[M+Na-2H]- 147.05398 130.9
[M]+ 126.07877 124.7
[M]- 126.07986 124.7
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

patents stripe