CID 13283820

197230-28-7

Structural Information

Molecular Formula
C7H13N
SMILES
C=CC[C@@H]1CCCN1
InChI
InChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2,7-8H,1,3-6H2/t7-/m1/s1
InChIKey
NVQFTQHETVOVON-SSDOTTSWSA-N
Compound name
(2S)-2-prop-2-enylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

111.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 125.3
[M+Na]+ 134.094018 131.3
[M-H]- 110.097524 125.4
[M+NH4]+ 129.138623 147.6
[M+K]+ 150.067958 129.2
[M+H-H2O]+ 94.102060 119.6
[M+HCOO]- 156.103001 145.7
[M+CH3COO]- 170.118651 165.3
[M+Na-2H]- 132.079466 129.7
[M]+ 111.10425142 120.2
[M]- 111.10534858 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe