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

135
Patents

158.03592 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04320 139.9
[M+Na]+ 181.02514 152.0
[M-H]- 157.02864 141.6
[M+NH4]+ 176.06974 152.9
[M+K]+ 196.99908 147.2
[M+H-H2O]+ 141.03318 130.6
[M+HCOO]- 203.03412 156.6
[M+CH3COO]- 217.04977 152.1
[M+Na-2H]- 179.01059 145.1
[M]+ 158.03537 143.2
[M]- 158.03647 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