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]+ 255.185576 165.8
[M+Na]+ 277.167518 172.4
[M-H]- 253.171024 168.5
[M+NH4]+ 272.212123 180.7
[M+K]+ 293.141458 166.0
[M+H-H2O]+ 237.175560 151.0
[M+HCOO]- 299.176501 181.0
[M+CH3COO]- 313.192151 205.8
[M+Na-2H]- 275.152966 167.8
[M]+ 254.17775142 158.1
[M]- 254.17884858 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.