CID 90104881

2253639-46-0

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C=C(C(=N1)C2CCC2)N
InChI
InChI=1S/C8H13N3/c1-11-5-7(9)8(10-11)6-3-2-4-6/h5-6H,2-4,9H2,1H3
InChIKey
YHMJZEHNPAQYLH-UHFFFAOYSA-N
Compound name
3-cyclobutyl-1-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

151.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 130.8
[M+Na]+ 174.100168 137.7
[M-H]- 150.103674 134.6
[M+NH4]+ 169.144773 144.4
[M+K]+ 190.074108 138.7
[M+H-H2O]+ 134.108210 118.4
[M+HCOO]- 196.109151 152.4
[M+CH3COO]- 210.124801 181.7
[M+Na-2H]- 172.085616 134.6
[M]+ 151.11040142 136.9
[M]- 151.11149858 136.9
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