CID 20135877

2253630-77-0

Structural Information

Molecular Formula
C8H16IN
SMILES
C1CCN(CC1)CCCI
InChI
InChI=1S/C8H16IN/c9-5-4-8-10-6-2-1-3-7-10/h1-8H2
InChIKey
LJTSJFRSRPUQBO-UHFFFAOYSA-N
Compound name
1-(3-iodopropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

253.03275 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04003 139.9
[M+Na]+ 276.02197 137.5
[M-H]- 252.02547 133.9
[M+NH4]+ 271.06657 154.7
[M+K]+ 291.99591 142.1
[M+H-H2O]+ 236.03001 129.8
[M+HCOO]- 298.03095 154.0
[M+CH3COO]- 312.04660 183.9
[M+Na-2H]- 274.00742 133.3
[M]+ 253.03220 133.5
[M]- 253.03330 133.5
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