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

12
Patents

233.97926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98654 141.5
[M+Na]+ 256.96848 158.4
[M-H]- 232.97198 146.2
[M+NH4]+ 252.01308 162.7
[M+K]+ 272.94242 145.2
[M+H-H2O]+ 216.97652 134.7
[M+HCOO]- 278.97746 162.5
[M+CH3COO]- 292.99311 156.2
[M+Na-2H]- 254.95393 148.8
[M]+ 233.97871 155.7
[M]- 233.97981 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