CID 27130

Brn 2124099

Structural Information

Molecular Formula
C15H21FN2
SMILES
CC(C)C(CCN(C)C)(C#N)C1=CC=C(C=C1)F
InChI
InChI=1S/C15H21FN2/c1-12(2)15(11-17,9-10-18(3)4)13-5-7-14(16)8-6-13/h5-8,12H,9-10H2,1-4H3
InChIKey
RVYJIBKPRPEWJO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16888 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17616 161.1
[M+Na]+ 271.15810 168.4
[M-H]- 247.16160 163.8
[M+NH4]+ 266.20270 176.9
[M+K]+ 287.13204 165.9
[M+H-H2O]+ 231.16614 147.2
[M+HCOO]- 293.16708 178.1
[M+CH3COO]- 307.18273 214.0
[M+Na-2H]- 269.14355 163.2
[M]+ 248.16833 156.4
[M]- 248.16943 156.4
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.