CID 191430

[(1s,2s)-2-methyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)butyl]azanium

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 135.4
[M+Na]+ 178.10632 142.3
[M-H]- 154.10982 132.0
[M+NH4]+ 173.15092 151.4
[M+K]+ 194.08026 140.7
[M+H-H2O]+ 138.11436 126.7
[M+HCOO]- 200.11530 153.4
[M+CH3COO]- 214.13095 176.9
[M+Na-2H]- 176.09177 139.2
[M]+ 155.11655 132.1
[M]- 155.11765 132.1
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.