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]+ 153.13863 135.3
[M+Na]+ 175.12057 141.1
[M-H]- 151.12407 134.1
[M+NH4]+ 170.16517 159.0
[M+K]+ 191.09451 138.0
[M+H-H2O]+ 135.12861 129.0
[M+HCOO]- 197.12955 149.5
[M+CH3COO]- 211.14520 146.6
[M+Na-2H]- 173.10602 138.4
[M]+ 152.13080 128.6
[M]- 152.13190 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.