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]+ 154.10872 129.2
[M+Na]+ 176.09066 136.4
[M-H]- 152.09416 129.4
[M+NH4]+ 171.13526 146.0
[M+K]+ 192.06460 137.7
[M+H-H2O]+ 136.09870 118.8
[M+HCOO]- 198.09964 147.2
[M+CH3COO]- 212.11529 140.8
[M+Na-2H]- 174.07611 135.7
[M]+ 153.10089 122.8
[M]- 153.10199 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.