CID 43378536

1096856-95-9

Structural Information

Molecular Formula
C15H19N
SMILES
CC(C)(C)C1=CC=C(C=C1)C2(CCC2)C#N
InChI
InChI=1S/C15H19N/c1-14(2,3)12-5-7-13(8-6-12)15(11-16)9-4-10-15/h5-8H,4,9-10H2,1-3H3
InChIKey
VUUXXVHKXWERRD-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15175 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 150.8
[M+Na]+ 236.140968 159.1
[M-H]- 212.144474 156.8
[M+NH4]+ 231.185573 164.0
[M+K]+ 252.114908 158.3
[M+H-H2O]+ 196.149010 135.0
[M+HCOO]- 258.149951 167.2
[M+CH3COO]- 272.165601 203.2
[M+Na-2H]- 234.126416 156.0
[M]+ 213.15120142 153.1
[M]- 213.15229858 153.1
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.