CID 138039912

2241128-07-2

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CC2=C(C1)NN=C2C3CNC3
InChI
InChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-9(7)6-4-10-5-6/h6,10H,1-5H2,(H,11,12)
InChIKey
QEIJQJWVCZSEPU-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 132.2
[M+Na]+ 186.10017 138.2
[M-H]- 162.10367 133.2
[M+NH4]+ 181.14477 145.6
[M+K]+ 202.07411 137.4
[M+H-H2O]+ 146.10821 120.3
[M+HCOO]- 208.10915 148.3
[M+CH3COO]- 222.12480 143.5
[M+Na-2H]- 184.08562 135.0
[M]+ 163.11040 135.3
[M]- 163.11150 135.3
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.