CID 138040549

2247107-37-3

Structural Information

Molecular Formula
C9H13N3
SMILES
CN1C(=CC=N1)C23CC(C2)CN3
InChI
InChI=1S/C9H13N3/c1-12-8(2-3-11-12)9-4-7(5-9)6-10-9/h2-3,7,10H,4-6H2,1H3
InChIKey
GGDNCXGNPXBZNM-UHFFFAOYSA-N
Compound name
1-(2-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]+ 164.11823 136.9
[M+Na]+ 186.10017 144.6
[M-H]- 162.10367 137.2
[M+NH4]+ 181.14477 157.5
[M+K]+ 202.07411 144.8
[M+H-H2O]+ 146.10821 127.9
[M+HCOO]- 208.10915 153.0
[M+CH3COO]- 222.12480 149.2
[M+Na-2H]- 184.08562 142.3
[M]+ 163.11040 147.9
[M]- 163.11150 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.