CID 115438

63977-69-5

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CCC(=O)N1CC2CCC(C1)N2C(=O)CC
InChI
InChI=1S/C12H20N2O2/c1-3-11(15)13-7-9-5-6-10(8-13)14(9)12(16)4-2/h9-10H,3-8H2,1-2H3
InChIKey
AFIXAFUSSQHYKM-UHFFFAOYSA-N
Compound name
1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 154.8
[M+Na]+ 247.14170 160.4
[M-H]- 223.14520 154.2
[M+NH4]+ 242.18630 173.9
[M+K]+ 263.11564 158.6
[M+H-H2O]+ 207.14974 148.2
[M+HCOO]- 269.15068 169.1
[M+CH3COO]- 283.16633 190.8
[M+Na-2H]- 245.12715 155.1
[M]+ 224.15193 153.3
[M]- 224.15303 153.3
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.