CID 20577021

3-(2,3-dihydro-1h-indol-1-yl)propanenitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CN(C2=CC=CC=C21)CCC#N
InChI
InChI=1S/C11H12N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-5H,3,6,8-9H2
InChIKey
TUVNVZQRVAQHKU-UHFFFAOYSA-N
Compound name
3-(2,3-dihydroindol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 137.6
[M+Na]+ 195.08927 147.9
[M-H]- 171.09277 139.7
[M+NH4]+ 190.13387 157.2
[M+K]+ 211.06321 142.6
[M+H-H2O]+ 155.09731 124.4
[M+HCOO]- 217.09825 155.9
[M+CH3COO]- 231.11390 149.5
[M+Na-2H]- 193.07472 143.2
[M]+ 172.09950 132.1
[M]- 172.10060 132.1
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