CID 2759443

1-(2-isocyanoethyl)pyrrolidine

Structural Information

Molecular Formula
C7H12N2
SMILES
[C-]#[N+]CCN1CCCC1
InChI
InChI=1S/C7H12N2/c1-8-4-7-9-5-2-3-6-9/h2-7H2
InChIKey
IEGLIUHTOPMAFW-UHFFFAOYSA-N
Compound name
1-(2-isocyanoethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

124.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 130.0
[M+Na]+ 147.089268 137.9
[M-H]- 123.092774 130.0
[M+NH4]+ 142.133873 149.2
[M+K]+ 163.063208 131.0
[M+H-H2O]+ 107.097310 121.6
[M+HCOO]- 169.098251 147.4
[M+CH3COO]- 183.113901 175.2
[M+Na-2H]- 145.074716 135.7
[M]+ 124.09950142 119.4
[M]- 124.10059858 119.4
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