CID 66509585

1-methyl-3-(propan-2-yloxy)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC(C)OC1=NN(C=C1N)C
InChI
InChI=1S/C7H13N3O/c1-5(2)11-7-6(8)4-10(3)9-7/h4-5H,8H2,1-3H3
InChIKey
MOHHSDPEILNAAZ-UHFFFAOYSA-N
Compound name
1-methyl-3-propan-2-yloxypyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

155.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 133.0
[M+Na]+ 178.09509 141.9
[M-H]- 154.09859 134.1
[M+NH4]+ 173.13969 153.1
[M+K]+ 194.06903 141.1
[M+H-H2O]+ 138.10313 126.1
[M+HCOO]- 200.10407 156.0
[M+CH3COO]- 214.11972 180.1
[M+Na-2H]- 176.08054 136.5
[M]+ 155.10532 133.7
[M]- 155.10642 133.7
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