CID 370507

Nsc643728

Structural Information

Molecular Formula
C17H31N
SMILES
CCCCC1CCC2N1C(CC2)CCCCC=C
InChI
InChI=1S/C17H31N/c1-3-5-7-8-10-16-12-14-17-13-11-15(18(16)17)9-6-4-2/h3,15-17H,1,4-14H2,2H3
InChIKey
AVCHFMDYFWBBRU-UHFFFAOYSA-N
Compound name
3-butyl-5-hex-5-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.24565 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.25293 169.0
[M+Na]+ 272.23487 173.3
[M-H]- 248.23837 170.4
[M+NH4]+ 267.27947 189.7
[M+K]+ 288.20881 169.0
[M+H-H2O]+ 232.24291 162.3
[M+HCOO]- 294.24385 186.7
[M+CH3COO]- 308.25950 198.4
[M+Na-2H]- 270.22032 166.3
[M]+ 249.24510 168.1
[M]- 249.24620 168.1
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.