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]+ 185.11453 138.6
[M+Na]+ 207.09647 146.4
[M-H]- 183.09997 138.2
[M+NH4]+ 202.14107 155.1
[M+K]+ 223.07041 144.8
[M+H-H2O]+ 167.10451 130.1
[M+HCOO]- 229.10545 162.3
[M+CH3COO]- 243.12110 188.8
[M+Na-2H]- 205.08192 142.7
[M]+ 184.10670 136.3
[M]- 184.10780 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.