CID 86775438

2305255-03-0

Structural Information

Molecular Formula
C9H15N5
SMILES
CC1=NN=C2N1CCN(C2)C3CNC3
InChI
InChI=1S/C9H15N5/c1-7-11-12-9-6-13(2-3-14(7)9)8-4-10-5-8/h8,10H,2-6H2,1H3
InChIKey
QXTSBPGZNHKKEM-UHFFFAOYSA-N
Compound name
7-(azetidin-3-yl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.13275 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.14003 143.8
[M+Na]+ 216.12197 150.5
[M-H]- 192.12547 142.7
[M+NH4]+ 211.16657 152.3
[M+K]+ 232.09591 149.8
[M+H-H2O]+ 176.13001 129.2
[M+HCOO]- 238.13095 156.3
[M+CH3COO]- 252.14660 153.5
[M+Na-2H]- 214.10742 147.3
[M]+ 193.13220 147.7
[M]- 193.13330 147.7
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.