CID 84653476

Methyl 7-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC1(C2C1CNCC2)C(=O)OC
InChI
InChI=1S/C9H15NO2/c1-9(8(11)12-2)6-3-4-10-5-7(6)9/h6-7,10H,3-5H2,1-2H3
InChIKey
SXJYRTQGERBUEK-UHFFFAOYSA-N
Compound name
methyl 7-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 142.3
[M+Na]+ 192.09950 151.1
[M-H]- 168.10300 144.8
[M+NH4]+ 187.14410 159.0
[M+K]+ 208.07344 148.8
[M+H-H2O]+ 152.10754 137.0
[M+HCOO]- 214.10848 159.0
[M+CH3COO]- 228.12413 180.0
[M+Na-2H]- 190.08495 147.8
[M]+ 169.10973 142.8
[M]- 169.11083 142.8
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

No patent data available for this compound.