CID 12374077

1,4-diazabicyclo[3.2.1]octane dihydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
C1CN2CCNC1C2
InChI
InChI=1S/C6H12N2/c1-3-8-4-2-7-6(1)5-8/h6-7H,1-5H2
InChIKey
KYCAEEFYFFBAAP-UHFFFAOYSA-N
Compound name
1,4-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

421
Patents

112.10005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 123.4
[M+Na]+ 135.089268 129.3
[M-H]- 111.092774 121.4
[M+NH4]+ 130.133873 145.9
[M+K]+ 151.063208 127.5
[M+H-H2O]+ 95.097310 117.1
[M+HCOO]- 157.098251 139.5
[M+CH3COO]- 171.113901 135.5
[M+Na-2H]- 133.074716 130.1
[M]+ 112.09950142 117.1
[M]- 112.10059858 117.1
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

patents stripe