CID 45822

63977-85-5

Structural Information

Molecular Formula
C11H19ClN2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CCCl
InChI
InChI=1S/C11H19ClN2O/c1-2-11(15)14-9-3-4-10(14)8-13(7-9)6-5-12/h9-10H,2-8H2,1H3
InChIKey
PWDDDZZOGAIYGD-UHFFFAOYSA-N
Compound name
1-[3-(2-chloroethyl)-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

230.11859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12587 155.2
[M+Na]+ 253.10781 161.9
[M-H]- 229.11131 154.2
[M+NH4]+ 248.15241 174.9
[M+K]+ 269.08175 158.0
[M+H-H2O]+ 213.11585 148.8
[M+HCOO]- 275.11679 165.7
[M+CH3COO]- 289.13244 190.2
[M+Na-2H]- 251.09326 156.4
[M]+ 230.11804 155.0
[M]- 230.11914 155.0
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.