CID 191430

L-5(1-amino-2-methylbutyl)tetrazole

Structural Information

Molecular Formula
C6H13N5
SMILES
CC[C@H](C)[C@@H](C1=NNN=N1)N
InChI
InChI=1S/C6H13N5/c1-3-4(2)5(7)6-8-10-11-9-6/h4-5H,3,7H2,1-2H3,(H,8,9,10,11)/t4-,5-/m0/s1
InChIKey
MBPGSKUSSWDBFL-WHFBIAKZSA-N
Compound name
(1S,2S)-2-methyl-1-(2H-tetrazol-5-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

155.1171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.12438 133.5
[M+Na]+ 178.10632 142.2
[M+NH4]+ 173.15092 139.2
[M+K]+ 194.08026 140.8
[M-H]- 154.10982 131.6
[M+Na-2H]- 176.09177 137.2
[M]+ 155.11655 133.7
[M]- 155.11765 133.7
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

No patent data available for this compound.