CID 121597304

4-(chloromethyl)-1-cyclobutyl-1h-1,2,3-triazole hydrochloride

Structural Information

Molecular Formula
C7H10ClN3
SMILES
C1CC(C1)N2C=C(N=N2)CCl
InChI
InChI=1S/C7H10ClN3/c8-4-6-5-11(10-9-6)7-2-1-3-7/h5,7H,1-4H2
InChIKey
KCXWLVGHKFGWGO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-cyclobutyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05632 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06360 127.6
[M+Na]+ 194.04554 136.0
[M-H]- 170.04904 129.7
[M+NH4]+ 189.09014 140.2
[M+K]+ 210.01948 135.5
[M+H-H2O]+ 154.05358 115.0
[M+HCOO]- 216.05452 143.3
[M+CH3COO]- 230.07017 180.3
[M+Na-2H]- 192.03099 133.0
[M]+ 171.05577 136.7
[M]- 171.05687 136.7
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.