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]+ 210.09471 146.4
[M+Na]+ 232.07665 153.1
[M-H]- 208.08015 151.4
[M+NH4]+ 227.12125 166.2
[M+K]+ 248.05059 150.0
[M+H-H2O]+ 192.08469 139.7
[M+HCOO]- 254.08563 162.5
[M+CH3COO]- 268.10128 182.7
[M+Na-2H]- 230.06210 146.6
[M]+ 209.08688 145.1
[M]- 209.08798 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.