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]+ 225.19614 157.6
[M+Na]+ 247.17808 162.8
[M-H]- 223.18158 156.6
[M+NH4]+ 242.22268 176.8
[M+K]+ 263.15202 160.3
[M+H-H2O]+ 207.18612 150.6
[M+HCOO]- 269.18706 172.2
[M+CH3COO]- 283.20271 192.4
[M+Na-2H]- 245.16353 158.4
[M]+ 224.18831 156.4
[M]- 224.18941 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.