CID 112756260

(2-methylpentan-2-yl)(thiophen-2-ylmethyl)amine

Structural Information

Molecular Formula
C11H19NS
SMILES
CCCC(C)(C)NCC1=CC=CS1
InChI
InChI=1S/C11H19NS/c1-4-7-11(2,3)12-9-10-6-5-8-13-10/h5-6,8,12H,4,7,9H2,1-3H3
InChIKey
PRRGDTRBNKCBSE-UHFFFAOYSA-N
Compound name
2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13111 147.0
[M+Na]+ 220.11305 153.5
[M-H]- 196.11655 150.5
[M+NH4]+ 215.15765 168.7
[M+K]+ 236.08699 150.8
[M+H-H2O]+ 180.12109 141.4
[M+HCOO]- 242.12203 165.8
[M+CH3COO]- 256.13768 186.5
[M+Na-2H]- 218.09850 149.4
[M]+ 197.12328 149.4
[M]- 197.12438 149.4
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.