CID 4909086

2613382-84-4

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCC(C1)N2CC3=CC=CC=C3C2=N
InChI
InChI=1S/C13H16N2/c14-13-12-8-4-1-5-10(12)9-15(13)11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2
InChIKey
PTWPLOUMMMSUQA-UHFFFAOYSA-N
Compound name
2-cyclopentyl-3H-isoindol-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 145.0
[M+Na]+ 223.120568 151.5
[M-H]- 199.124074 151.1
[M+NH4]+ 218.165173 167.0
[M+K]+ 239.094508 147.5
[M+H-H2O]+ 183.128610 138.0
[M+HCOO]- 245.129551 166.8
[M+CH3COO]- 259.145201 157.6
[M+Na-2H]- 221.106016 147.3
[M]+ 200.13080142 139.8
[M]- 200.13189858 139.8
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

patents stripe