CID 223446

1-butyl-1h-tetrazol-5-amine

Structural Information

Molecular Formula
C5H11N5
SMILES
CCCCN1C(=NN=N1)N
InChI
InChI=1S/C5H11N5/c1-2-3-4-10-5(6)7-8-9-10/h2-4H2,1H3,(H2,6,7,9)
InChIKey
DAFSTKDZKAGKGV-UHFFFAOYSA-N
Compound name
1-butyltetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

141.10144 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.10872 129.5
[M+Na]+ 164.09066 138.8
[M-H]- 140.09416 127.6
[M+NH4]+ 159.13526 147.2
[M+K]+ 180.06460 137.3
[M+H-H2O]+ 124.09870 120.9
[M+HCOO]- 186.09964 151.2
[M+CH3COO]- 200.11529 175.9
[M+Na-2H]- 162.07611 135.9
[M]+ 141.10089 129.4
[M]- 141.10199 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe