CID 3057950

3-(cyclopropylmethyl)-5,7,7-trimethyl-6-oxa-3-azabicyclo(3.2.2)nonane

Structural Information

Molecular Formula
C14H25NO
SMILES
CC1(C2CCC(O1)(CN(C2)CC3CC3)C)C
InChI
InChI=1S/C14H25NO/c1-13(2)12-6-7-14(3,16-13)10-15(9-12)8-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKey
JIYHHMPTHWVLCB-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethyl)-5,7,7-trimethyl-6-oxa-3-azabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.20090 154.5
[M+Na]+ 246.18284 163.4
[M-H]- 222.18634 157.9
[M+NH4]+ 241.22744 171.2
[M+K]+ 262.15678 159.2
[M+H-H2O]+ 206.19088 151.8
[M+HCOO]- 268.19182 162.0
[M+CH3COO]- 282.20747 163.6
[M+Na-2H]- 244.16829 163.3
[M]+ 223.19307 156.1
[M]- 223.19417 156.1
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.