CID 73357540

1338247-52-1

Structural Information

Molecular Formula
C7H11N3
SMILES
CC1=C2C(=NN1)CCCN2
InChI
InChI=1S/C7H11N3/c1-5-7-6(10-9-5)3-2-4-8-7/h8H,2-4H2,1H3,(H,9,10)
InChIKey
ZGHWHGRLNYSEQD-UHFFFAOYSA-N
Compound name
3-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

137.09529 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 129.7
[M+Na]+ 160.08451 137.5
[M-H]- 136.08801 127.1
[M+NH4]+ 155.12911 148.9
[M+K]+ 176.05845 133.8
[M+H-H2O]+ 120.09255 122.5
[M+HCOO]- 182.09349 145.7
[M+CH3COO]- 196.10914 141.4
[M+Na-2H]- 158.06996 135.6
[M]+ 137.09474 123.8
[M]- 137.09584 123.8
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