CID 20098992

893745-85-2

Structural Information

Molecular Formula
C11H15NOS
SMILES
C1CCN(CC1)CC2=CSC(=C2)C=O
InChI
InChI=1S/C11H15NOS/c13-8-11-6-10(9-14-11)7-12-4-2-1-3-5-12/h6,8-9H,1-5,7H2
InChIKey
LUVAADJQCRBJKC-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.094706 146.4
[M+Na]+ 232.076648 153.1
[M-H]- 208.080154 151.4
[M+NH4]+ 227.121253 166.2
[M+K]+ 248.050588 150.0
[M+H-H2O]+ 192.084690 139.7
[M+HCOO]- 254.085631 162.5
[M+CH3COO]- 268.101281 182.7
[M+Na-2H]- 230.062096 146.6
[M]+ 209.08688142 145.1
[M]- 209.08797858 145.1
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.