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]+ 172.063596 127.6
[M+Na]+ 194.045538 136.0
[M-H]- 170.049044 129.7
[M+NH4]+ 189.090143 140.2
[M+K]+ 210.019478 135.5
[M+H-H2O]+ 154.053580 115.0
[M+HCOO]- 216.054521 143.3
[M+CH3COO]- 230.070171 180.3
[M+Na-2H]- 192.030986 133.0
[M]+ 171.05577142 136.7
[M]- 171.05686858 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.