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]+ 194.140026 143.8
[M+Na]+ 216.121968 150.5
[M-H]- 192.125474 142.7
[M+NH4]+ 211.166573 152.3
[M+K]+ 232.095908 149.8
[M+H-H2O]+ 176.130010 129.2
[M+HCOO]- 238.130951 156.3
[M+CH3COO]- 252.146601 153.5
[M+Na-2H]- 214.107416 147.3
[M]+ 193.13220142 147.7
[M]- 193.13329858 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.