CID 57942

N-isopentil-3-isogranatanina bromidrato [italian]

Structural Information

Molecular Formula
C13H25N
SMILES
CC(C)CCN1CC2CCC(C1)CC2
InChI
InChI=1S/C13H25N/c1-11(2)7-8-14-9-12-3-4-13(10-14)6-5-12/h11-13H,3-10H2,1-2H3
InChIKey
OYBYPNLDBYYMFL-UHFFFAOYSA-N
Compound name
3-(3-methylbutyl)-3-azabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.1987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.205976 153.0
[M+Na]+ 218.187918 159.0
[M-H]- 194.191424 152.9
[M+NH4]+ 213.232523 173.0
[M+K]+ 234.161858 155.7
[M+H-H2O]+ 178.195960 153.1
[M+HCOO]- 240.196901 162.2
[M+CH3COO]- 254.212551 161.9
[M+Na-2H]- 216.173366 160.4
[M]+ 195.19815142 151.2
[M]- 195.19924858 151.2
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.