CID 42962518

1-aminopropan-2-yl piperidine-4-carboxylate dihydrochloride

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(CN)OC(=O)C1CCNCC1
InChI
InChI=1S/C9H18N2O2/c1-7(6-10)13-9(12)8-2-4-11-5-3-8/h7-8,11H,2-6,10H2,1H3
InChIKey
PUEOMSIMLGBLLQ-UHFFFAOYSA-N
Compound name
1-aminopropan-2-yl piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.6
[M+Na]+ 209.12605 147.4
[M-H]- 185.12955 143.7
[M+NH4]+ 204.17065 161.2
[M+K]+ 225.09999 146.2
[M+H-H2O]+ 169.13409 137.8
[M+HCOO]- 231.13503 161.0
[M+CH3COO]- 245.15068 181.0
[M+Na-2H]- 207.11150 146.1
[M]+ 186.13628 137.9
[M]- 186.13738 137.9
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

No patent data available for this compound.