CID 138991434

2309433-14-3

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 103.6
[M+Na]+ 132.07837 115.2
[M+NH4]+ 127.12297 113.9
[M+K]+ 148.05231 115.5
[M-H]- 108.08187 117.7
[M+Na-2H]- 130.06382 113.1
[M]+ 109.08860 111.0
[M]- 109.08970 111.0
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.