CID 138040900

1-methoxy-3-azabicyclo[3.1.1]heptane

Structural Information

Molecular Formula
C7H13NO
SMILES
COC12CC(C1)CNC2
InChI
InChI=1S/C7H13NO/c1-9-7-2-6(3-7)4-8-5-7/h6,8H,2-5H2,1H3
InChIKey
XIZSRQKBVOLXEA-UHFFFAOYSA-N
Compound name
1-methoxy-3-azabicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 134.7
[M+Na]+ 150.08894 139.8
[M-H]- 126.09244 131.3
[M+NH4]+ 145.13354 154.4
[M+K]+ 166.06288 141.1
[M+H-H2O]+ 110.09698 126.1
[M+HCOO]- 172.09792 146.7
[M+CH3COO]- 186.11357 145.6
[M+Na-2H]- 148.07439 146.5
[M]+ 127.09917 143.8
[M]- 127.10027 143.8
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