CID 214873

34548-72-6

Structural Information

Molecular Formula
C12H21NS
SMILES
CCC(C)C(CN(C)C)C1=CC=CS1
InChI
InChI=1S/C12H21NS/c1-5-10(2)11(9-13(3)4)12-7-6-8-14-12/h6-8,10-11H,5,9H2,1-4H3
InChIKey
YWHHQMYICWAHJH-UHFFFAOYSA-N
Compound name
N,N,3-trimethyl-2-thiophen-2-ylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14675 152.7
[M+Na]+ 234.12869 157.8
[M-H]- 210.13219 157.4
[M+NH4]+ 229.17329 174.1
[M+K]+ 250.10263 156.8
[M+H-H2O]+ 194.13673 146.2
[M+HCOO]- 256.13767 170.9
[M+CH3COO]- 270.15332 194.4
[M+Na-2H]- 232.11414 150.8
[M]+ 211.13892 155.9
[M]- 211.14002 155.9
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.