CID 90480922

1431962-49-0

Structural Information

Molecular Formula
C7H13N3O2
SMILES
CN1C=C(C(=N1)OCCOC)N
InChI
InChI=1S/C7H13N3O2/c1-10-5-6(8)7(9-10)12-4-3-11-2/h5H,3-4,8H2,1-2H3
InChIKey
NRTSLSMJVKEJRL-UHFFFAOYSA-N
Compound name
3-(2-methoxyethoxy)-1-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10077 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.10805 135.0
[M+Na]+ 194.08999 144.1
[M-H]- 170.09349 136.0
[M+NH4]+ 189.13459 154.5
[M+K]+ 210.06393 143.3
[M+H-H2O]+ 154.09803 127.8
[M+HCOO]- 216.09897 159.2
[M+CH3COO]- 230.11462 181.3
[M+Na-2H]- 192.07544 139.8
[M]+ 171.10022 137.8
[M]- 171.10132 137.8
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.