CID 105428291

Zld00233

Structural Information

Molecular Formula
C8H15NO
SMILES
COCC1C2C1CNCC2
InChI
InChI=1S/C8H15NO/c1-10-5-8-6-2-3-9-4-7(6)8/h6-9H,2-5H2,1H3
InChIKey
ZUBYFMLBKMVBPS-UHFFFAOYSA-N
Compound name
7-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 134.4
[M+Na]+ 164.10459 142.8
[M-H]- 140.10809 136.6
[M+NH4]+ 159.14919 150.4
[M+K]+ 180.07853 139.7
[M+H-H2O]+ 124.11263 128.1
[M+HCOO]- 186.11357 152.5
[M+CH3COO]- 200.12922 176.3
[M+Na-2H]- 162.09004 140.7
[M]+ 141.11482 134.0
[M]- 141.11592 134.0
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.