CID 117296

1-(allyl)pyrrolidine-2-methylamine

Structural Information

Molecular Formula
C8H16N2
SMILES
C=CCN1CCCC1CN
InChI
InChI=1S/C8H16N2/c1-2-5-10-6-3-4-8(10)7-9/h2,8H,1,3-7,9H2
InChIKey
HTGKTSVPJJNEMQ-UHFFFAOYSA-N
Compound name
(1-prop-2-enylpyrrolidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

140.13135 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 132.8
[M+Na]+ 163.120568 138.8
[M-H]- 139.124074 133.9
[M+NH4]+ 158.165173 154.3
[M+K]+ 179.094508 136.8
[M+H-H2O]+ 123.128610 126.4
[M+HCOO]- 185.129551 154.7
[M+CH3COO]- 199.145201 176.1
[M+Na-2H]- 161.106016 135.7
[M]+ 140.13080142 128.5
[M]- 140.13189858 128.5
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