CID 381971

163629-09-2

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC1=CC2=CC=CC=C2N1CC(=O)N3CCCC3
InChI
InChI=1S/C15H18N2O/c1-12-10-13-6-2-3-7-14(13)17(12)11-15(18)16-8-4-5-9-16/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKey
QIXUHQMNXSNWHO-UHFFFAOYSA-N
Compound name
2-(2-methylindol-1-yl)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

242.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.8
[M+Na]+ 265.131118 165.0
[M-H]- 241.134624 162.1
[M+NH4]+ 260.175723 176.2
[M+K]+ 281.105058 161.1
[M+H-H2O]+ 225.139160 148.9
[M+HCOO]- 287.140101 177.6
[M+CH3COO]- 301.155751 169.2
[M+Na-2H]- 263.116566 158.0
[M]+ 242.14135142 157.0
[M]- 242.14244858 157.0
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