CID 15721

1798-46-5

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CC=C
InChI
InChI=1S/C12H20N2O/c1-3-7-13-8-10-5-6-11(9-13)14(10)12(15)4-2/h3,10-11H,1,4-9H2,2H3
InChIKey
INPYZYGYRQOSMA-UHFFFAOYSA-N
Compound name
1-(3-prop-2-enyl-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

208.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.164836 151.7
[M+Na]+ 231.146778 157.6
[M-H]- 207.150284 150.9
[M+NH4]+ 226.191383 171.5
[M+K]+ 247.120718 154.7
[M+H-H2O]+ 191.154820 144.9
[M+HCOO]- 253.155761 166.8
[M+CH3COO]- 267.171411 188.6
[M+Na-2H]- 229.132226 153.0
[M]+ 208.15701142 149.4
[M]- 208.15810858 149.4
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.