CID 26895

Brn 2124100

Structural Information

Molecular Formula
C15H21ClN2
SMILES
CC(C)C(CCN(C)C)(C#N)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C15H21ClN2/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
GDQFGXLOZMECLM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1393 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14658 166.5
[M+Na]+ 287.12852 174.9
[M-H]- 263.13202 170.5
[M+NH4]+ 282.17312 182.8
[M+K]+ 303.10246 170.6
[M+H-H2O]+ 247.13656 154.3
[M+HCOO]- 309.13750 180.5
[M+CH3COO]- 323.15315 214.8
[M+Na-2H]- 285.11397 168.7
[M]+ 264.13875 164.9
[M]- 264.13985 164.9
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.