CID 177798101

Methyl 1-(azetidin-3-yl)-5-methyl-1h-1,2,3-triazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CC1=C(N=NN1C2CNC2)C(=O)OC
InChI
InChI=1S/C8H12N4O2/c1-5-7(8(13)14-2)10-11-12(5)6-3-9-4-6/h6,9H,3-4H2,1-2H3
InChIKey
ZCFCPGMEJNHPMB-UHFFFAOYSA-N
Compound name
methyl 1-(azetidin-3-yl)-5-methyltriazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 142.5
[M+Na]+ 219.085238 149.6
[M-H]- 195.088744 142.8
[M+NH4]+ 214.129843 151.2
[M+K]+ 235.059178 150.7
[M+H-H2O]+ 179.093280 128.9
[M+HCOO]- 241.094221 159.1
[M+CH3COO]- 255.109871 184.2
[M+Na-2H]- 217.070686 144.7
[M]+ 196.09547142 150.7
[M]- 196.09656858 150.7
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

No patent data available for this compound.