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]+ 214.15903 150.8
[M+Na]+ 236.14097 159.1
[M-H]- 212.14447 156.8
[M+NH4]+ 231.18557 164.0
[M+K]+ 252.11491 158.3
[M+H-H2O]+ 196.14901 135.0
[M+HCOO]- 258.14995 167.2
[M+CH3COO]- 272.16560 203.2
[M+Na-2H]- 234.12642 156.0
[M]+ 213.15120 153.1
[M]- 213.15230 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.