CID 145867710

2361598-96-9

Structural Information

Molecular Formula
C9H14N4O2
SMILES
COC(=O)C1CC(C1)N2C=C(N=N2)CN
InChI
InChI=1S/C9H14N4O2/c1-15-9(14)6-2-8(3-6)13-5-7(4-10)11-12-13/h5-6,8H,2-4,10H2,1H3
InChIKey
QVCPHXHNFDVGIY-UHFFFAOYSA-N
Compound name
methyl 3-[4-(aminomethyl)triazol-1-yl]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 148.0
[M+Na]+ 233.10090 152.7
[M+NH4]+ 228.14550 149.7
[M+K]+ 249.07484 152.7
[M-H]- 209.10440 145.3
[M+Na-2H]- 231.08635 149.3
[M]+ 210.11113 146.2
[M]- 210.11223 146.2
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.