CID 124089

3-thiophenamine, n-(2-methoxy-1-methylethyl)-2,4-dimethyl-

Structural Information

Molecular Formula
C10H17NOS
SMILES
CC1=CSC(=C1NC(C)COC)C
InChI
InChI=1S/C10H17NOS/c1-7-6-13-9(3)10(7)11-8(2)5-12-4/h6,8,11H,5H2,1-4H3
InChIKey
MKTFWDHZGUUGQZ-UHFFFAOYSA-N
Compound name
N-(1-methoxypropan-2-yl)-2,4-dimethylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

199.10309 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11037 144.8
[M+Na]+ 222.09231 152.6
[M-H]- 198.09581 149.0
[M+NH4]+ 217.13691 166.7
[M+K]+ 238.06625 150.6
[M+H-H2O]+ 182.10035 139.2
[M+HCOO]- 244.10129 164.5
[M+CH3COO]- 258.11694 188.2
[M+Na-2H]- 220.07776 144.7
[M]+ 199.10254 148.9
[M]- 199.10364 148.9
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

patents stripe