CID 58602891

5-(methoxymethyl)-1-methyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C5H9N3O
SMILES
CN1C(=CN=N1)COC
InChI
InChI=1S/C5H9N3O/c1-8-5(4-9-2)3-6-7-8/h3H,4H2,1-2H3
InChIKey
SQHZSBNIVJIWQT-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

127.07456 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 123.5
[M+Na]+ 150.063778 133.5
[M-H]- 126.067284 123.5
[M+NH4]+ 145.108383 143.7
[M+K]+ 166.037718 133.2
[M+H-H2O]+ 110.071820 116.1
[M+HCOO]- 172.072761 146.4
[M+CH3COO]- 186.088411 170.8
[M+Na-2H]- 148.049226 130.6
[M]+ 127.07401142 126.0
[M]- 127.07510858 126.0
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