CID 12416326

63987-69-9

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCNC(C1)CCCC(=O)O
InChI
InChI=1S/C9H17NO2/c11-9(12)6-3-5-8-4-1-2-7-10-8/h8,10H,1-7H2,(H,11,12)
InChIKey
VKKXOOQNBTVWAT-UHFFFAOYSA-N
Compound name
4-piperidin-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

171.12593 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.8
[M+Na]+ 194.115148 144.2
[M-H]- 170.118654 138.9
[M+NH4]+ 189.159753 157.9
[M+K]+ 210.089088 141.9
[M+H-H2O]+ 154.123190 134.5
[M+HCOO]- 216.124131 156.3
[M+CH3COO]- 230.139781 173.8
[M+Na-2H]- 192.100596 143.7
[M]+ 171.12538142 134.7
[M]- 171.12647858 134.7
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