CID 545822

Propan-2-yl piperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)OC(=O)C1CCNCC1
InChI
InChI=1S/C9H17NO2/c1-7(2)12-9(11)8-3-5-10-6-4-8/h7-8,10H,3-6H2,1-2H3
InChIKey
DCYUJGGJVYIWAG-UHFFFAOYSA-N
Compound name
propan-2-yl piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

171.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.5
[M+Na]+ 194.11515 144.1
[M-H]- 170.11865 140.2
[M+NH4]+ 189.15975 158.3
[M+K]+ 210.08909 143.3
[M+H-H2O]+ 154.12319 134.1
[M+HCOO]- 216.12413 156.5
[M+CH3COO]- 230.13978 176.6
[M+Na-2H]- 192.10060 142.7
[M]+ 171.12538 135.5
[M]- 171.12648 135.5
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