CID 4962878

(4-butylphenyl)(thiophen-2-yl)methanamine

Structural Information

Molecular Formula
C15H19NS
SMILES
CCCCC1=CC=C(C=C1)C(C2=CC=CS2)N
InChI
InChI=1S/C15H19NS/c1-2-3-5-12-7-9-13(10-8-12)15(16)14-6-4-11-17-14/h4,6-11,15H,2-3,5,16H2,1H3
InChIKey
IGBPAJWKBSRXCL-UHFFFAOYSA-N
Compound name
(4-butylphenyl)-thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12383 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13111 157.5
[M+Na]+ 268.11305 164.1
[M-H]- 244.11655 163.8
[M+NH4]+ 263.15765 176.9
[M+K]+ 284.08699 159.4
[M+H-H2O]+ 228.12109 150.7
[M+HCOO]- 290.12203 176.7
[M+CH3COO]- 304.13768 194.8
[M+Na-2H]- 266.09850 157.1
[M]+ 245.12328 158.3
[M]- 245.12438 158.3
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.