CID 82586328

1469728-01-5

Structural Information

Molecular Formula
C9H15N3
SMILES
CC(C)N1C2=C(CNCC2)C=N1
InChI
InChI=1S/C9H15N3/c1-7(2)12-9-3-4-10-5-8(9)6-11-12/h6-7,10H,3-5H2,1-2H3
InChIKey
KZSZNEHSOBRKEK-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

165.1266 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 138.5
[M+Na]+ 188.11582 145.6
[M-H]- 164.11932 137.1
[M+NH4]+ 183.16042 157.2
[M+K]+ 204.08976 142.7
[M+H-H2O]+ 148.12386 130.8
[M+HCOO]- 210.12480 154.3
[M+CH3COO]- 224.14045 149.9
[M+Na-2H]- 186.10127 142.6
[M]+ 165.12605 134.5
[M]- 165.12715 134.5
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