CID 19781340

11-(1h-pyrrol-1-yl)undecane-1-thiol

Structural Information

Molecular Formula
C15H27NS
SMILES
C1=CN(C=C1)CCCCCCCCCCCS
InChI
InChI=1S/C15H27NS/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13-14,17H,1-8,11-12,15H2
InChIKey
JJDNIFVXOIKYCT-UHFFFAOYSA-N
Compound name
11-pyrrol-1-ylundecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

253.18642 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.19370 164.2
[M+Na]+ 276.17564 174.1
[M+NH4]+ 271.22024 172.6
[M+K]+ 292.14958 165.0
[M-H]- 252.17914 165.8
[M+Na-2H]- 274.16109 167.9
[M]+ 253.18587 166.5
[M]- 253.18697 166.5
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