CID 593368

2-methylindolizine-6-carbonitrile

Structural Information

Molecular Formula
C10H8N2
SMILES
CC1=CN2C=C(C=CC2=C1)C#N
InChI
InChI=1S/C10H8N2/c1-8-4-10-3-2-9(5-11)7-12(10)6-8/h2-4,6-7H,1H3
InChIKey
DDBAKJFTSMOWIT-UHFFFAOYSA-N
Compound name
2-methylindolizine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

156.06874 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07602 133.1
[M+Na]+ 179.05796 146.4
[M-H]- 155.06146 136.3
[M+NH4]+ 174.10256 153.8
[M+K]+ 195.03190 141.1
[M+H-H2O]+ 139.06600 120.4
[M+HCOO]- 201.06694 154.3
[M+CH3COO]- 215.08259 146.6
[M+Na-2H]- 177.04341 140.2
[M]+ 156.06819 130.2
[M]- 156.06929 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe