CID 138013783

2241138-20-3

Structural Information

Molecular Formula
C10H16N2
SMILES
C1CCC2CNCC2(CC1)C#N
InChI
InChI=1S/C10H16N2/c11-7-10-5-3-1-2-4-9(10)6-12-8-10/h9,12H,1-6,8H2
InChIKey
BGUDYWQYKOHLOX-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-3a-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 135.9
[M+Na]+ 187.120568 142.5
[M-H]- 163.124074 137.7
[M+NH4]+ 182.165173 155.2
[M+K]+ 203.094508 139.0
[M+H-H2O]+ 147.128610 123.7
[M+HCOO]- 209.129551 149.0
[M+CH3COO]- 223.145201 145.8
[M+Na-2H]- 185.106016 140.3
[M]+ 164.13080142 122.5
[M]- 164.13189858 122.5
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.