CID 165945304

Methyl 1-aminopiperidine-3-carboxylate

Structural Information

Molecular Formula
C7H14N2O2
SMILES
COC(=O)C1CCCN(C1)N
InChI
InChI=1S/C7H14N2O2/c1-11-7(10)6-3-2-4-9(8)5-6/h6H,2-5,8H2,1H3
InChIKey
MMFDQXAOSVXDHQ-UHFFFAOYSA-N
Compound name
methyl 1-aminopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.10553 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 134.5
[M+Na]+ 181.094748 139.8
[M-H]- 157.098254 135.7
[M+NH4]+ 176.139353 153.4
[M+K]+ 197.068688 139.4
[M+H-H2O]+ 141.102790 128.0
[M+HCOO]- 203.103731 154.1
[M+CH3COO]- 217.119381 177.7
[M+Na-2H]- 179.080196 138.1
[M]+ 158.10498142 129.9
[M]- 158.10607858 129.9
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