CID 138991434

Rac-(1r,2r,4r,6r)-tricyclo[4.1.0.0,2,4]heptan-5-amine

Structural Information

Molecular Formula
C7H11N
SMILES
C1[C@H]2[C@@H]1C([C@H]3[C@@H]2C3)N
InChI
InChI=1S/C7H11N/c8-7-5-1-3(5)4-2-6(4)7/h3-7H,1-2,8H2/t3-,4-,5-,6-/m1/s1
InChIKey
QDVWFNCFDRHCIQ-KVTDHHQDSA-N
Compound name
(1R,2R,4R,6R)-tricyclo[4.1.0.02,4]heptan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.08915 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 130.6
[M+Na]+ 132.07837 140.4
[M-H]- 108.08187 136.4
[M+NH4]+ 127.12297 144.8
[M+K]+ 148.05231 136.9
[M+H-H2O]+ 92.086410 126.2
[M+HCOO]- 154.08735 149.7
[M+CH3COO]- 168.10300 142.5
[M+Na-2H]- 130.06382 135.1
[M]+ 109.08860 133.0
[M]- 109.08970 133.0
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.