CID 46301

63992-05-2

Structural Information

Molecular Formula
C13H24N2O
SMILES
CCCCN1CC2CCC(C1)N2C(=O)CC
InChI
InChI=1S/C13H24N2O/c1-3-5-8-14-9-11-6-7-12(10-14)15(11)13(16)4-2/h11-12H,3-10H2,1-2H3
InChIKey
AUWINJMOPSMDNR-UHFFFAOYSA-N
Compound name
1-(3-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.18886 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.196136 157.6
[M+Na]+ 247.178078 162.8
[M-H]- 223.181584 156.6
[M+NH4]+ 242.222683 176.8
[M+K]+ 263.152018 160.3
[M+H-H2O]+ 207.186120 150.6
[M+HCOO]- 269.187061 172.2
[M+CH3COO]- 283.202711 192.4
[M+Na-2H]- 245.163526 158.4
[M]+ 224.18831142 156.4
[M]- 224.18940858 156.4
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.