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]+ 197.10330 142.5
[M+Na]+ 219.08524 149.6
[M-H]- 195.08874 142.8
[M+NH4]+ 214.12984 151.2
[M+K]+ 235.05918 150.7
[M+H-H2O]+ 179.09328 128.9
[M+HCOO]- 241.09422 159.1
[M+CH3COO]- 255.10987 184.2
[M+Na-2H]- 217.07069 144.7
[M]+ 196.09547 150.7
[M]- 196.09657 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.