CID 165692796

Methyl1-aminospiro[3.3]heptane-1-carboxylatehydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C1(CCC12CCC2)N
InChI
InChI=1S/C9H15NO2/c1-12-7(11)9(10)6-5-8(9)3-2-4-8/h2-6,10H2,1H3
InChIKey
VJUGGOAVDOEYNO-UHFFFAOYSA-N
Compound name
methyl 3-aminospiro[3.3]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.7
[M+Na]+ 192.09950 140.3
[M-H]- 168.10300 141.8
[M+NH4]+ 187.14410 146.9
[M+K]+ 208.07344 145.1
[M+H-H2O]+ 152.10754 124.4
[M+HCOO]- 214.10848 154.6
[M+CH3COO]- 228.12413 192.1
[M+Na-2H]- 190.08495 141.6
[M]+ 169.10973 150.8
[M]- 169.11083 150.8
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.