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]+ 128.08184 123.5
[M+Na]+ 150.06378 133.5
[M-H]- 126.06728 123.5
[M+NH4]+ 145.10838 143.7
[M+K]+ 166.03772 133.2
[M+H-H2O]+ 110.07182 116.1
[M+HCOO]- 172.07276 146.4
[M+CH3COO]- 186.08841 170.8
[M+Na-2H]- 148.04923 130.6
[M]+ 127.07401 126.0
[M]- 127.07511 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