CID 7176029

956440-80-5

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1=CC(=NN1C(C)C)N
InChI
InChI=1S/C7H13N3/c1-5(2)10-6(3)4-7(8)9-10/h4-5H,1-3H3,(H2,8,9)
InChIKey
YRVDRQBBMHLPLD-UHFFFAOYSA-N
Compound name
5-methyl-1-propan-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

139.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 130.0
[M+Na]+ 162.100168 139.1
[M-H]- 138.103674 131.2
[M+NH4]+ 157.144773 150.9
[M+K]+ 178.074108 137.8
[M+H-H2O]+ 122.108210 123.3
[M+HCOO]- 184.109151 152.8
[M+CH3COO]- 198.124801 178.0
[M+Na-2H]- 160.085616 133.6
[M]+ 139.11040142 129.3
[M]- 139.11149858 129.3
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