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]+ 170.117556 136.7
[M+Na]+ 192.099498 140.3
[M-H]- 168.103004 141.8
[M+NH4]+ 187.144103 146.9
[M+K]+ 208.073438 145.1
[M+H-H2O]+ 152.107540 124.4
[M+HCOO]- 214.108481 154.6
[M+CH3COO]- 228.124131 192.1
[M+Na-2H]- 190.084946 141.6
[M]+ 169.10973142 150.8
[M]- 169.11082858 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.