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

460
Patents

112.10005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 123.4
[M+Na]+ 135.08927 129.3
[M-H]- 111.09277 121.4
[M+NH4]+ 130.13387 145.9
[M+K]+ 151.06321 127.5
[M+H-H2O]+ 95.097310 117.1
[M+HCOO]- 157.09825 139.5
[M+CH3COO]- 171.11390 135.5
[M+Na-2H]- 133.07472 130.1
[M]+ 112.09950 117.1
[M]- 112.10060 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