CID 59192015

3-bromo-2-methylindolizine-6-carbonitrile

Structural Information

Molecular Formula
C10H7BrN2
SMILES
CC1=C(N2C=C(C=CC2=C1)C#N)Br
InChI
InChI=1S/C10H7BrN2/c1-7-4-9-3-2-8(5-12)6-13(9)10(7)11/h2-4,6H,1H3
InChIKey
VSGZADJKBWPCTB-UHFFFAOYSA-N
Compound name
3-bromo-2-methylindolizine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

233.97926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.986536 141.5
[M+Na]+ 256.968478 158.4
[M-H]- 232.971984 146.2
[M+NH4]+ 252.013083 162.7
[M+K]+ 272.942418 145.2
[M+H-H2O]+ 216.976520 134.7
[M+HCOO]- 278.977461 162.5
[M+CH3COO]- 292.993111 156.2
[M+Na-2H]- 254.953926 148.8
[M]+ 233.97871142 155.7
[M]- 233.97980858 155.7
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