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]+ 211.118956 146.5
[M+Na]+ 233.100898 152.4
[M-H]- 209.104404 148.8
[M+NH4]+ 228.145503 156.0
[M+K]+ 249.074838 154.1
[M+H-H2O]+ 193.108940 132.5
[M+HCOO]- 255.109881 165.9
[M+CH3COO]- 269.125531 190.8
[M+Na-2H]- 231.086346 148.2
[M]+ 210.11113142 154.6
[M]- 210.11222858 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.