CID 22049662

1-azabicyclo[2.2.1]heptan-3-amine dihydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
C1CN2CC1C(C2)N
InChI
InChI=1S/C6H12N2/c7-6-4-8-2-1-5(6)3-8/h5-6H,1-4,7H2
InChIKey
LZEPFDKCZQKGBT-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.1]heptan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

112.10005 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 122.7
[M+Na]+ 135.08927 130.0
[M-H]- 111.09277 123.8
[M+NH4]+ 130.13387 148.8
[M+K]+ 151.06321 128.8
[M+H-H2O]+ 95.097310 117.6
[M+HCOO]- 157.09825 144.2
[M+CH3COO]- 171.11390 136.5
[M+Na-2H]- 133.07472 127.3
[M]+ 112.09950 118.7
[M]- 112.10060 118.7
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