CID 54595194

3-(1h-1,2,3,4-tetrazol-5-yl)pentan-3-amine

Structural Information

Molecular Formula
C6H13N5
SMILES
CCC(CC)(C1=NNN=N1)N
InChI
InChI=1S/C6H13N5/c1-3-6(7,4-2)5-8-10-11-9-5/h3-4,7H2,1-2H3,(H,8,9,10,11)
InChIKey
XXOGQGNIIXHJTD-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)pentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.1171 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.124376 136.1
[M+Na]+ 178.106318 143.9
[M-H]- 154.109824 132.7
[M+NH4]+ 173.150923 152.3
[M+K]+ 194.080258 141.7
[M+H-H2O]+ 138.114360 128.0
[M+HCOO]- 200.115301 154.4
[M+CH3COO]- 214.130951 175.5
[M+Na-2H]- 176.091766 142.8
[M]+ 155.11655142 133.5
[M]- 155.11764858 133.5
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.