CID 118328240

5-(2-iodoethyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C3H5IN4
SMILES
C(CI)C1=NNN=N1
InChI
InChI=1S/C3H5IN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)
InChIKey
SREWJKORYYMKAE-UHFFFAOYSA-N
Compound name
5-(2-iodoethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.95589 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96317 123.9
[M+Na]+ 246.94511 126.3
[M-H]- 222.94861 114.4
[M+NH4]+ 241.98971 137.3
[M+K]+ 262.91905 130.4
[M+H-H2O]+ 206.95315 112.6
[M+HCOO]- 268.95409 139.4
[M+CH3COO]- 282.96974 174.4
[M+Na-2H]- 244.93056 120.2
[M]+ 223.95534 120.3
[M]- 223.95644 120.3
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