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]+ 110.096426 130.6
[M+Na]+ 132.078368 140.4
[M-H]- 108.081874 136.4
[M+NH4]+ 127.122973 144.8
[M+K]+ 148.052308 136.9
[M+H-H2O]+ 92.086410 126.2
[M+HCOO]- 154.087351 149.7
[M+CH3COO]- 168.103001 142.5
[M+Na-2H]- 130.063816 135.1
[M]+ 109.08860142 133.0
[M]- 109.08969858 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.