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

7
Patents

155.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.113146 133.0
[M+Na]+ 178.095088 141.9
[M-H]- 154.098594 134.1
[M+NH4]+ 173.139693 153.1
[M+K]+ 194.069028 141.1
[M+H-H2O]+ 138.103130 126.1
[M+HCOO]- 200.104071 156.0
[M+CH3COO]- 214.119721 180.1
[M+Na-2H]- 176.080536 136.5
[M]+ 155.10532142 133.7
[M]- 155.10641858 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