CID 145867316

2111410-00-3

Structural Information

Molecular Formula
C10H16N4
SMILES
C1CC2(C1)CNCC2CN3C=NN=C3
InChI
InChI=1S/C10H16N4/c1-2-10(3-1)6-11-4-9(10)5-14-7-12-13-8-14/h7-9,11H,1-6H2
InChIKey
RJUPSUBVSQEGME-UHFFFAOYSA-N
Compound name
8-(1,2,4-triazol-4-ylmethyl)-6-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 139.7
[M+Na]+ 215.12672 145.3
[M-H]- 191.13022 141.6
[M+NH4]+ 210.17132 152.2
[M+K]+ 231.10066 145.2
[M+H-H2O]+ 175.13476 126.3
[M+HCOO]- 237.13570 155.8
[M+CH3COO]- 251.15135 150.5
[M+Na-2H]- 213.11217 142.8
[M]+ 192.13695 143.3
[M]- 192.13805 143.3
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.