CID 25524499

949980-56-7

Structural Information

Molecular Formula
C5H7ClN4
SMILES
C1CC1N2C(=NN=N2)CCl
InChI
InChI=1S/C5H7ClN4/c6-3-5-7-8-9-10(5)4-1-2-4/h4H,1-3H2
InChIKey
SISADQGRGZBXLF-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-cyclopropyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

158.03592 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.043196 139.9
[M+Na]+ 181.025138 152.0
[M-H]- 157.028644 141.6
[M+NH4]+ 176.069743 152.9
[M+K]+ 196.999078 147.2
[M+H-H2O]+ 141.033180 130.6
[M+HCOO]- 203.034121 156.6
[M+CH3COO]- 217.049771 152.1
[M+Na-2H]- 179.010586 145.1
[M]+ 158.03537142 143.2
[M]- 158.03646858 143.2
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