CID 137942693

2260937-09-3

Structural Information

Molecular Formula
C9H13N3
SMILES
CN1C=CC(=N1)C23CC(C2)CN3
InChI
InChI=1S/C9H13N3/c1-12-3-2-8(11-12)9-4-7(5-9)6-10-9/h2-3,7,10H,4-6H2,1H3
InChIKey
ZEFBOBKQKWTTQC-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 136.9
[M+Na]+ 186.100168 144.6
[M-H]- 162.103674 137.2
[M+NH4]+ 181.144773 157.5
[M+K]+ 202.074108 144.8
[M+H-H2O]+ 146.108210 127.9
[M+HCOO]- 208.109151 153.0
[M+CH3COO]- 222.124801 149.2
[M+Na-2H]- 184.085616 142.3
[M]+ 163.11040142 148.0
[M]- 163.11149858 148.0
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

No patent data available for this compound.