CID 62737733

5-(chloromethyl)-1-(cyclopropylmethyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C6H9ClN4
SMILES
C1CC1CN2C(=NN=N2)CCl
InChI
InChI=1S/C6H9ClN4/c7-3-6-8-9-10-11(6)4-5-1-2-5/h5H,1-4H2
InChIKey
JCOHNCWEPZPMNL-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(cyclopropylmethyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

172.05157 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05885 144.0
[M+Na]+ 195.04079 155.7
[M-H]- 171.04429 145.6
[M+NH4]+ 190.08539 156.5
[M+K]+ 211.01473 150.7
[M+H-H2O]+ 155.04883 134.5
[M+HCOO]- 217.04977 160.4
[M+CH3COO]- 231.06542 155.9
[M+Na-2H]- 193.02624 148.7
[M]+ 172.05102 147.6
[M]- 172.05212 147.6
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