CID 3057948

74291-64-8

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC1(C2CCC(O1)(CN(C2)C(=O)C3CC3)C)C
InChI
InChI=1S/C14H23NO2/c1-13(2)11-6-7-14(3,17-13)9-15(8-11)12(16)10-4-5-10/h10-11H,4-9H2,1-3H3
InChIKey
NQTJBLDLKPQWAW-UHFFFAOYSA-N
Compound name
cyclopropyl-(5,7,7-trimethyl-6-oxa-3-azabicyclo[3.2.2]nonan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 156.6
[M+Na]+ 260.162098 165.5
[M-H]- 236.165604 160.0
[M+NH4]+ 255.206703 172.8
[M+K]+ 276.136038 161.9
[M+H-H2O]+ 220.170140 154.3
[M+HCOO]- 282.171081 163.6
[M+CH3COO]- 296.186731 165.6
[M+Na-2H]- 258.147546 164.8
[M]+ 237.17233142 158.4
[M]- 237.17342858 158.4
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.