CID 12312757

27954-14-9

Structural Information

Molecular Formula
C9H15NO2
SMILES
C=C[C@H]1CNCC[C@H]1CC(=O)O
InChI
InChI=1S/C9H15NO2/c1-2-7-6-10-4-3-8(7)5-9(11)12/h2,7-8,10H,1,3-6H2,(H,11,12)/t7-,8-/m0/s1
InChIKey
LIVUROBUFZRFQU-YUMQZZPRSA-N
Compound name
2-[(3R,4S)-3-ethenylpiperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

169.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 139.1
[M+Na]+ 192.099498 143.8
[M-H]- 168.103004 137.7
[M+NH4]+ 187.144103 156.6
[M+K]+ 208.073438 140.9
[M+H-H2O]+ 152.107540 133.2
[M+HCOO]- 214.108481 154.8
[M+CH3COO]- 228.124131 174.1
[M+Na-2H]- 190.084946 141.3
[M]+ 169.10973142 132.6
[M]- 169.11082858 132.6
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