CID 12763781

1,3-bis(propan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C9H17N3
SMILES
CC(C)C1=NN(C(=C1)N)C(C)C
InChI
InChI=1S/C9H17N3/c1-6(2)8-5-9(10)12(11-8)7(3)4/h5-7H,10H2,1-4H3
InChIKey
FBIFHDGLVAFHRY-UHFFFAOYSA-N
Compound name
1,3-di(propan-2-yl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

167.14224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.149516 139.6
[M+Na]+ 190.131458 147.5
[M-H]- 166.134964 140.6
[M+NH4]+ 185.176063 159.3
[M+K]+ 206.105398 146.2
[M+H-H2O]+ 150.139500 132.6
[M+HCOO]- 212.140441 160.7
[M+CH3COO]- 226.156091 185.0
[M+Na-2H]- 188.116906 140.8
[M]+ 167.14169142 139.0
[M]- 167.14278858 139.0
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