CID 22907215

Methyl 4-aminopiperidine-4-carboxylate dihydrochloride

Structural Information

Molecular Formula
C7H14N2O2
SMILES
COC(=O)C1(CCNCC1)N
InChI
InChI=1S/C7H14N2O2/c1-11-6(10)7(8)2-4-9-5-3-7/h9H,2-5,8H2,1H3
InChIKey
JAEORFRKLBYOOJ-UHFFFAOYSA-N
Compound name
methyl 4-aminopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

158.10553 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 135.1
[M+Na]+ 181.09475 140.0
[M-H]- 157.09825 134.9
[M+NH4]+ 176.13935 155.0
[M+K]+ 197.06869 139.1
[M+H-H2O]+ 141.10279 129.6
[M+HCOO]- 203.10373 153.2
[M+CH3COO]- 217.11938 173.5
[M+Na-2H]- 179.08020 140.1
[M]+ 158.10498 128.7
[M]- 158.10608 128.7
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