CID 121553616

1909325-69-4

Structural Information

Molecular Formula
C6H11N5
SMILES
C1CC2=NN=NN2CCC1N
InChI
InChI=1S/C6H11N5/c7-5-1-2-6-8-9-10-11(6)4-3-5/h5H,1-4,7H2
InChIKey
BYKLNTQRIPXGGX-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.10144 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.108716 129.2
[M+Na]+ 176.090658 136.4
[M-H]- 152.094164 129.4
[M+NH4]+ 171.135263 146.0
[M+K]+ 192.064598 137.7
[M+H-H2O]+ 136.098700 118.8
[M+HCOO]- 198.099641 147.2
[M+CH3COO]- 212.115291 140.8
[M+Na-2H]- 174.076106 135.7
[M]+ 153.10089142 122.8
[M]- 153.10198858 122.8
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.