CID 14599

Brn 1345553

Structural Information

Molecular Formula
C14H26N2O
SMILES
CC1(C2CCC1(CN(C2)C(=O)CN(C)C)C)C
InChI
InChI=1S/C14H26N2O/c1-13(2)11-6-7-14(13,3)10-16(8-11)12(17)9-15(4)5/h11H,6-10H2,1-5H3
InChIKey
GVYDGDDKVLBCEK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.20451 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.211786 157.4
[M+Na]+ 261.193728 163.4
[M-H]- 237.197234 159.8
[M+NH4]+ 256.238333 181.8
[M+K]+ 277.167668 162.3
[M+H-H2O]+ 221.201770 152.4
[M+HCOO]- 283.202711 174.4
[M+CH3COO]- 297.218361 200.3
[M+Na-2H]- 259.179176 160.2
[M]+ 238.20396142 157.2
[M]- 238.20505858 157.2
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.