CID 208063

1-butanone, 4-(diisopropylamino)-1-(3-thienyl)-, hydrobromide

Structural Information

Molecular Formula
C14H23NOS
SMILES
CC(C)N(CCCC(=O)C1=CSC=C1)C(C)C
InChI
InChI=1S/C14H23NOS/c1-11(2)15(12(3)4)8-5-6-14(16)13-7-9-17-10-13/h7,9-12H,5-6,8H2,1-4H3
InChIKey
YINKCEBMIIQQPZ-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]-1-thiophen-3-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15004 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.157316 164.8
[M+Na]+ 276.139258 168.9
[M-H]- 252.142764 169.2
[M+NH4]+ 271.183863 184.3
[M+K]+ 292.113198 167.8
[M+H-H2O]+ 236.147300 157.9
[M+HCOO]- 298.148241 181.7
[M+CH3COO]- 312.163891 202.2
[M+Na-2H]- 274.124706 160.9
[M]+ 253.14949142 168.9
[M]- 253.15058858 168.9
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.