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
1
Annotation Hits

0
References

2
Patents

242.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.8
[M+Na]+ 265.13112 165.0
[M-H]- 241.13462 162.1
[M+NH4]+ 260.17572 176.2
[M+K]+ 281.10506 161.1
[M+H-H2O]+ 225.13916 148.9
[M+HCOO]- 287.14010 177.6
[M+CH3COO]- 301.15575 169.2
[M+Na-2H]- 263.11657 158.0
[M]+ 242.14135 157.0
[M]- 242.14245 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