CID 165909621

1-cyclopropyl-5-iodo-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C4H5IN4
SMILES
C1CC1N2C(=NN=N2)I
InChI
InChI=1S/C4H5IN4/c5-4-6-7-8-9(4)3-1-2-3/h3H,1-2H2
InChIKey
RKMZKCXYLFNHBU-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-iodotetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.95589 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.96317 135.0
[M+Na]+ 258.94511 140.4
[M-H]- 234.94861 131.0
[M+NH4]+ 253.98971 144.4
[M+K]+ 274.91905 142.6
[M+H-H2O]+ 218.95315 123.1
[M+HCOO]- 280.95409 152.1
[M+CH3COO]- 294.96974 144.2
[M+Na-2H]- 256.93056 130.4
[M]+ 235.95534 134.6
[M]- 235.95644 134.6
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

No patent data available for this compound.