CID 169448388

1,4-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C7H13NO
SMILES
CC12CC(CO1)(NC2)C
InChI
InChI=1S/C7H13NO/c1-6-3-7(2,4-8-6)9-5-6/h8H,3-5H2,1-2H3
InChIKey
TUUCBDMDNLTIJL-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.7
[M+Na]+ 150.08894 134.2
[M-H]- 126.09244 126.8
[M+NH4]+ 145.13354 153.6
[M+K]+ 166.06288 133.5
[M+H-H2O]+ 110.09698 122.2
[M+HCOO]- 172.09792 144.3
[M+CH3COO]- 186.11357 139.8
[M+Na-2H]- 148.07439 133.6
[M]+ 127.09917 124.2
[M]- 127.10027 124.2
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.