CID 18361847

215871-11-7

Structural Information

Molecular Formula
C9H17N3O2Si
SMILES
C[Si](C)(C)CCOCN1C(=NC=N1)C=O
InChI
InChI=1S/C9H17N3O2Si/c1-15(2,3)5-4-14-8-12-9(6-13)10-7-11-12/h6-7H,4-5,8H2,1-3H3
InChIKey
CGTKYMZMWCNCHE-UHFFFAOYSA-N
Compound name
2-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

227.10901 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11629 151.3
[M+Na]+ 250.09823 159.6
[M-H]- 226.10173 150.7
[M+NH4]+ 245.14283 168.0
[M+K]+ 266.07217 158.2
[M+H-H2O]+ 210.10627 143.4
[M+HCOO]- 272.10721 171.1
[M+CH3COO]- 286.12286 187.4
[M+Na-2H]- 248.08368 156.2
[M]+ 227.10846 155.7
[M]- 227.10956 155.7
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

patents stripe