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]+ 153.13863 130.9
[M+Na]+ 175.12057 135.6
[M-H]- 151.12407 132.6
[M+NH4]+ 170.16517 147.2
[M+K]+ 191.09451 136.0
[M+H-H2O]+ 135.12861 120.2
[M+HCOO]- 197.12955 146.7
[M+CH3COO]- 211.14520 142.5
[M+Na-2H]- 173.10602 133.4
[M]+ 152.13080 134.3
[M]- 152.13190 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.