CID 39871605

Methyl 6-aminospiro[3.3]heptane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C1CC2(C1)CC(C2)N
InChI
InChI=1S/C9H15NO2/c1-12-8(11)6-2-9(3-6)4-7(10)5-9/h6-7H,2-5,10H2,1H3
InChIKey
JBPHEHKXYOVGBC-UHFFFAOYSA-N
Compound name
methyl 2-aminospiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

169.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 133.8
[M+Na]+ 192.09950 137.3
[M-H]- 168.10300 138.7
[M+NH4]+ 187.14410 142.4
[M+K]+ 208.07344 142.3
[M+H-H2O]+ 152.10754 120.2
[M+HCOO]- 214.10848 151.7
[M+CH3COO]- 228.12413 193.3
[M+Na-2H]- 190.08495 137.3
[M]+ 169.10973 147.8
[M]- 169.11083 147.8
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