CID 58199

101198-11-2

Structural Information

Molecular Formula
C16H28N2
SMILES
C1CC2CC1C3C2C4CC3C(C4CN)CCCN
InChI
InChI=1S/C16H28N2/c17-5-1-2-11-12-7-13(14(11)8-18)16-10-4-3-9(6-10)15(12)16/h9-16H,1-8,17-18H2
InChIKey
INUNDISUCITEQT-UHFFFAOYSA-N
Compound name
3-[5-(aminomethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.22525 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.23253 163.2
[M+Na]+ 271.21447 168.3
[M-H]- 247.21797 165.4
[M+NH4]+ 266.25907 190.5
[M+K]+ 287.18841 163.7
[M+H-H2O]+ 231.22251 160.2
[M+HCOO]- 293.22345 180.6
[M+CH3COO]- 307.23910 173.8
[M+Na-2H]- 269.19992 159.9
[M]+ 248.22470 160.0
[M]- 248.22580 160.0
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.