CID 23552428

1000896-88-7

Structural Information

Molecular Formula
C7H13N3
SMILES
CC(C)CC1=CC(=NN1)N
InChI
InChI=1S/C7H13N3/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3,(H3,8,9,10)
InChIKey
QDBRDMCFYCUCPL-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

139.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 131.0
[M+Na]+ 162.100168 138.6
[M-H]- 138.103674 130.3
[M+NH4]+ 157.144773 150.7
[M+K]+ 178.074108 136.4
[M+H-H2O]+ 122.108210 124.1
[M+HCOO]- 184.109151 152.2
[M+CH3COO]- 198.124801 174.3
[M+Na-2H]- 160.085616 134.7
[M]+ 139.11040142 128.0
[M]- 139.11149858 128.0
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