CID 94968

1h-tetrazol-5-amine, 1-octyl-

Structural Information

Molecular Formula
C9H19N5
SMILES
CCCCCCCCN1C(=NN=N1)N
InChI
InChI=1S/C9H19N5/c1-2-3-4-5-6-7-8-14-9(10)11-12-13-14/h2-8H2,1H3,(H2,10,11,13)
InChIKey
LENVMHVEFPRXPD-UHFFFAOYSA-N
Compound name
1-octyltetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

197.16405 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.17133 147.0
[M+Na]+ 220.15327 154.5
[M-H]- 196.15677 144.5
[M+NH4]+ 215.19787 162.5
[M+K]+ 236.12721 152.0
[M+H-H2O]+ 180.16131 137.6
[M+HCOO]- 242.16225 167.4
[M+CH3COO]- 256.17790 187.9
[M+Na-2H]- 218.13872 151.3
[M]+ 197.16350 148.3
[M]- 197.16460 148.3
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