CID 66657110

850876-28-7

Structural Information

Molecular Formula
C11H16N2
SMILES
CC(C)NC1=CC2=C(CNC2)C=C1
InChI
InChI=1S/C11H16N2/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11/h3-5,8,12-13H,6-7H2,1-2H3
InChIKey
UIEHHQOIYDRUJF-UHFFFAOYSA-N
Compound name
N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

176.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.7
[M+Na]+ 199.120568 146.0
[M-H]- 175.124074 141.3
[M+NH4]+ 194.165173 160.5
[M+K]+ 215.094508 142.6
[M+H-H2O]+ 159.128610 133.4
[M+HCOO]- 221.129551 160.1
[M+CH3COO]- 235.145201 181.9
[M+Na-2H]- 197.106016 144.6
[M]+ 176.13080142 136.1
[M]- 176.13189858 136.1
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