CID 360979

Nsc623710

Structural Information

Molecular Formula
C17H22N2
SMILES
C=CCCCC(C#N)(C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C17H22N2/c1-2-3-7-12-17(15-18,19-13-8-9-14-19)16-10-5-4-6-11-16/h2,4-6,10-11H,1,3,7-9,12-14H2
InChIKey
ARNNFJXCAAQKKR-UHFFFAOYSA-N
Compound name
2-phenyl-2-pyrrolidin-1-ylhept-6-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 165.8
[M+Na]+ 277.16752 172.4
[M-H]- 253.17102 168.5
[M+NH4]+ 272.21212 180.7
[M+K]+ 293.14146 166.0
[M+H-H2O]+ 237.17556 151.0
[M+HCOO]- 299.17650 181.0
[M+CH3COO]- 313.19215 205.8
[M+Na-2H]- 275.15297 167.8
[M]+ 254.17775 158.1
[M]- 254.17885 158.1
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.