CID 66509943

3-(azetidin-3-yl)-4-methyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C6H10N4
SMILES
CN1C=NN=C1C2CNC2
InChI
InChI=1S/C6H10N4/c1-10-4-8-9-6(10)5-2-7-3-5/h4-5,7H,2-3H2,1H3
InChIKey
SHVPNNANYWBJCL-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-4-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.09055 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.097826 126.8
[M+Na]+ 161.079768 134.3
[M-H]- 137.083274 126.8
[M+NH4]+ 156.124373 137.9
[M+K]+ 177.053708 135.1
[M+H-H2O]+ 121.087810 113.5
[M+HCOO]- 183.088751 144.6
[M+CH3COO]- 197.104401 174.1
[M+Na-2H]- 159.065216 132.2
[M]+ 138.09000142 132.7
[M]- 138.09109858 132.7
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