CID 79875565

3-propylidenepyrrolidine

Structural Information

Molecular Formula
C7H13N
SMILES
CCC=C1CCNC1
InChI
InChI=1S/C7H13N/c1-2-3-7-4-5-8-6-7/h3,8H,2,4-6H2,1H3
InChIKey
ZSIXFAYVZOLAHC-UHFFFAOYSA-N
Compound name
3-propylidenepyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.1048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 125.6
[M+Na]+ 134.09402 131.6
[M-H]- 110.09752 125.7
[M+NH4]+ 129.13862 148.0
[M+K]+ 150.06796 129.5
[M+H-H2O]+ 94.102060 119.9
[M+HCOO]- 156.10300 145.9
[M+CH3COO]- 170.11865 164.6
[M+Na-2H]- 132.07947 129.9
[M]+ 111.10425 120.3
[M]- 111.10535 120.3
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.