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 146.5
[M+Na]+ 233.10090 152.4
[M-H]- 209.10440 148.8
[M+NH4]+ 228.14550 156.0
[M+K]+ 249.07484 154.1
[M+H-H2O]+ 193.10894 132.5
[M+HCOO]- 255.10988 165.9
[M+CH3COO]- 269.12553 190.8
[M+Na-2H]- 231.08635 148.2
[M]+ 210.11113 154.6
[M]- 210.11223 154.6
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.