CID 44668676

868600-66-2

Structural Information

Molecular Formula
C4H7BrN4
SMILES
C(CC1=NNN=N1)CBr
InChI
InChI=1S/C4H7BrN4/c5-3-1-2-4-6-8-9-7-4/h1-3H2,(H,6,7,8,9)
InChIKey
VJPVRXXOYPODNM-UHFFFAOYSA-N
Compound name
5-(3-bromopropyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.98541 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99269 128.7
[M+Na]+ 212.97463 141.2
[M-H]- 188.97813 128.8
[M+NH4]+ 208.01923 147.9
[M+K]+ 228.94857 130.7
[M+H-H2O]+ 172.98267 127.2
[M+HCOO]- 234.98361 146.9
[M+CH3COO]- 248.99926 176.2
[M+Na-2H]- 210.96008 137.8
[M]+ 189.98486 146.4
[M]- 189.98596 146.4
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.