CID 29127634

1081145-06-3

Structural Information

Molecular Formula
C14H15BrN2O
SMILES
C1CCN(C1)C(=O)CN2C=CC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H15BrN2O/c15-12-4-3-11-5-8-17(13(11)9-12)10-14(18)16-6-1-2-7-16/h3-5,8-9H,1-2,6-7,10H2
InChIKey
IUXSXFFCHPEVDW-UHFFFAOYSA-N
Compound name
2-(6-bromoindol-1-yl)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03677 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04405 166.1
[M+Na]+ 329.02599 177.8
[M-H]- 305.02949 174.1
[M+NH4]+ 324.07059 186.7
[M+K]+ 344.99993 166.6
[M+H-H2O]+ 289.03403 165.2
[M+HCOO]- 351.03497 185.1
[M+CH3COO]- 365.05062 180.0
[M+Na-2H]- 327.01144 168.8
[M]+ 306.03622 184.6
[M]- 306.03732 184.6
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

No patent data available for this compound.