CID 115602

63990-42-1

Structural Information

Molecular Formula
C10H18N2O
SMILES
CCC(=O)N1CC2CCC(C1)N2C
InChI
InChI=1S/C10H18N2O/c1-3-10(13)12-6-8-4-5-9(7-12)11(8)2/h8-9H,3-7H2,1-2H3
InChIKey
LJFYKIBJGUDIHL-UHFFFAOYSA-N
Compound name
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.149176 143.7
[M+Na]+ 205.131118 150.3
[M-H]- 181.134624 143.3
[M+NH4]+ 200.175723 164.7
[M+K]+ 221.105058 148.5
[M+H-H2O]+ 165.139160 137.3
[M+HCOO]- 227.140101 159.3
[M+CH3COO]- 241.155751 183.4
[M+Na-2H]- 203.116566 146.2
[M]+ 182.14135142 141.5
[M]- 182.14244858 141.5
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

patents stripe