CID 137092333

2089255-47-8

Structural Information

Molecular Formula
C6H12N6O
SMILES
CCOCN1C(=C(N=N1)C(=N)N)N
InChI
InChI=1S/C6H12N6O/c1-2-13-3-12-6(9)4(5(7)8)10-11-12/h2-3,9H2,1H3,(H3,7,8)
InChIKey
MGMRAYIJMLMTHQ-UHFFFAOYSA-N
Compound name
5-amino-1-(ethoxymethyl)triazole-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10725 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.114526 138.6
[M+Na]+ 207.096468 146.4
[M-H]- 183.099974 138.2
[M+NH4]+ 202.141073 155.1
[M+K]+ 223.070408 144.8
[M+H-H2O]+ 167.104510 130.1
[M+HCOO]- 229.105451 162.3
[M+CH3COO]- 243.121101 188.8
[M+Na-2H]- 205.081916 142.7
[M]+ 184.10670142 136.3
[M]- 184.10779858 136.3
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.