CID 4962761

2093634-50-3

Structural Information

Molecular Formula
C15H19NS
SMILES
CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)N
InChI
InChI=1S/C15H19NS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11,15H,10,16H2,1-2H3
InChIKey
QDEDRANLVGQQSO-UHFFFAOYSA-N
Compound name
[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12383 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13111 158.2
[M+Na]+ 268.11305 164.4
[M-H]- 244.11655 164.6
[M+NH4]+ 263.15765 177.4
[M+K]+ 284.08699 160.2
[M+H-H2O]+ 228.12109 151.5
[M+HCOO]- 290.12203 176.3
[M+CH3COO]- 304.13768 195.7
[M+Na-2H]- 266.09850 156.6
[M]+ 245.12328 158.4
[M]- 245.12438 158.4
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.