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]+ 185.10733 156.4
[M+Na]+ 207.08927 165.0
[M-H]- 183.09277 159.5
[M+NH4]+ 202.13387 169.2
[M+K]+ 223.06321 161.1
[M+H-H2O]+ 167.09731 141.1
[M+HCOO]- 229.09825 167.8
[M+CH3COO]- 243.11390 216.3
[M+Na-2H]- 205.07472 157.6
[M]+ 184.09950 147.9
[M]- 184.10060 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.