CID 130754782

(1s,4s)-2-cyclobutyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride

Structural Information

Molecular Formula
C9H16N2
SMILES
C1CC(C1)N2C[C@@H]3C[C@H]2CN3
InChI
InChI=1S/C9H16N2/c1-2-8(3-1)11-6-7-4-9(11)5-10-7/h7-10H,1-6H2/t7-,9-/m0/s1
InChIKey
KCDHDSZBVKYFRC-CBAPKCEASA-N
Compound name
(1S,4S)-2-cyclobutyl-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.13135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 130.9
[M+Na]+ 175.120568 135.6
[M-H]- 151.124074 132.6
[M+NH4]+ 170.165173 147.2
[M+K]+ 191.094508 136.0
[M+H-H2O]+ 135.128610 120.2
[M+HCOO]- 197.129551 146.7
[M+CH3COO]- 211.145201 142.5
[M+Na-2H]- 173.106016 133.4
[M]+ 152.13080142 134.3
[M]- 152.13189858 134.3
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.