CID 375078

Nsc654016

Structural Information

Molecular Formula
C19H21F3N2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C19H21F3N2/c20-19(21,22)16-4-2-1-3-15(16)17(11-23)24-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,17,24H,5-10H2
InChIKey
YQIUUFXRTZDIFP-UHFFFAOYSA-N
Compound name
2-(1-adamantylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16568 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17296 182.8
[M+Na]+ 357.15490 188.8
[M-H]- 333.15840 177.6
[M+NH4]+ 352.19950 201.0
[M+K]+ 373.12884 176.1
[M+H-H2O]+ 317.16294 168.1
[M+HCOO]- 379.16388 183.7
[M+CH3COO]- 393.17953 187.5
[M+Na-2H]- 355.14035 189.4
[M]+ 334.16513 173.3
[M]- 334.16623 173.3
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.