CID 132327575

2126144-06-5

Structural Information

Molecular Formula
C9H16N2
SMILES
C1C[C@H]2C[C@@H]1[C@@H]3N2CCNC3
InChI
InChI=1S/C9H16N2/c1-2-8-5-7(1)9-6-10-3-4-11(8)9/h7-10H,1-6H2/t7-,8+,9-/m1/s1
InChIKey
FXDOBDLENLQBBY-HRDYMLBCSA-N
Compound name
(1S,7S,8R)-2,5-diazatricyclo[6.2.1.02,7]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 135.3
[M+Na]+ 175.120568 141.1
[M-H]- 151.124074 134.1
[M+NH4]+ 170.165173 159.0
[M+K]+ 191.094508 138.0
[M+H-H2O]+ 135.128610 129.0
[M+HCOO]- 197.129551 149.5
[M+CH3COO]- 211.145201 146.6
[M+Na-2H]- 173.106016 138.4
[M]+ 152.13080142 128.6
[M]- 152.13189858 128.6
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.