CID 53470669

68804-02-4

Structural Information

Molecular Formula
C13H19N
SMILES
CC\1CC2C(C2(C)C)C/C1=C/CC#N
InChI
InChI=1S/C13H19N/c1-9-7-11-12(13(11,2)3)8-10(9)5-4-6-14/h5,9,11-12H,4,7-8H2,1-3H3/b10-5-
InChIKey
WHPKEUKLQUSZBC-YHYXMXQVSA-N
Compound name
(3Z)-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 142.2
[M+Na]+ 212.14097 154.6
[M+NH4]+ 207.18557 149.8
[M+K]+ 228.11491 144.6
[M-H]- 188.14447 143.8
[M+Na-2H]- 210.12642 147.5
[M]+ 189.15120 144.8
[M]- 189.15230 144.8
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

patents stripe