CID 52388

73747-71-4

Structural Information

Molecular Formula
C12H12N2
SMILES
CC(CC1=CC=CC=C1)C(C#N)C#N
InChI
InChI=1S/C12H12N2/c1-10(12(8-13)9-14)7-11-5-3-2-4-6-11/h2-6,10,12H,7H2,1H3
InChIKey
YQXOZXCJCFLHKY-UHFFFAOYSA-N
Compound name
2-(1-phenylpropan-2-yl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 156.4
[M+Na]+ 207.089268 165.0
[M-H]- 183.092774 159.5
[M+NH4]+ 202.133873 169.2
[M+K]+ 223.063208 161.1
[M+H-H2O]+ 167.097310 141.1
[M+HCOO]- 229.098251 167.8
[M+CH3COO]- 243.113901 216.3
[M+Na-2H]- 205.074716 157.6
[M]+ 184.09950142 147.9
[M]- 184.10059858 147.9
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.