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]+ 224.200896 154.5
[M+Na]+ 246.182838 163.4
[M-H]- 222.186344 157.9
[M+NH4]+ 241.227443 171.2
[M+K]+ 262.156778 159.2
[M+H-H2O]+ 206.190880 151.8
[M+HCOO]- 268.191821 162.0
[M+CH3COO]- 282.207471 163.6
[M+Na-2H]- 244.168286 163.3
[M]+ 223.19307142 156.1
[M]- 223.19416858 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.