CID 115774

64048-09-5

Structural Information

Molecular Formula
C14H21NO2S
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=CS2
InChI
InChI=1S/C14H21NO2S/c1-12-6-2-3-8-15(12)9-5-10-17-14(16)13-7-4-11-18-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKey
WYDBQEACYWRGIP-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1293 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13658 163.7
[M+Na]+ 290.11852 168.5
[M-H]- 266.12202 168.2
[M+NH4]+ 285.16312 181.0
[M+K]+ 306.09246 165.6
[M+H-H2O]+ 250.12656 156.3
[M+HCOO]- 312.12750 177.9
[M+CH3COO]- 326.14315 193.8
[M+Na-2H]- 288.10397 161.4
[M]+ 267.12875 164.1
[M]- 267.12985 164.1
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

No patent data available for this compound.