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

100
Patents

169.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 133.8
[M+Na]+ 192.099498 137.3
[M-H]- 168.103004 138.7
[M+NH4]+ 187.144103 142.4
[M+K]+ 208.073438 142.3
[M+H-H2O]+ 152.107540 120.2
[M+HCOO]- 214.108481 151.7
[M+CH3COO]- 228.124131 193.3
[M+Na-2H]- 190.084946 137.3
[M]+ 169.10973142 147.8
[M]- 169.11082858 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