CID 58487605

Methyl 3-hydroxypiperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)C1(CCCNC1)O
InChI
InChI=1S/C7H13NO3/c1-11-6(9)7(10)3-2-4-8-5-7/h8,10H,2-5H2,1H3
InChIKey
XTESLNLUWWTVGF-UHFFFAOYSA-N
Compound name
methyl 3-hydroxypiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

159.08954 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.8
[M+Na]+ 182.07876 140.0
[M-H]- 158.08226 133.7
[M+NH4]+ 177.12336 154.5
[M+K]+ 198.05270 139.1
[M+H-H2O]+ 142.08680 129.7
[M+HCOO]- 204.08774 151.2
[M+CH3COO]- 218.10339 168.8
[M+Na-2H]- 180.06421 140.0
[M]+ 159.08899 129.7
[M]- 159.09009 129.7
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