CID 21300217

1823891-04-8

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1(CNC2=C1C=CN=C2)C
InChI
InChI=1S/C9H12N2/c1-9(2)6-11-8-5-10-4-3-7(8)9/h3-5,11H,6H2,1-2H3
InChIKey
YBZWRGDVFXRRDK-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

148.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 131.0
[M+Na]+ 171.089268 140.4
[M-H]- 147.092774 131.8
[M+NH4]+ 166.133873 154.1
[M+K]+ 187.063208 137.2
[M+H-H2O]+ 131.097310 124.8
[M+HCOO]- 193.098251 150.8
[M+CH3COO]- 207.113901 144.5
[M+Na-2H]- 169.074716 138.6
[M]+ 148.09950142 128.9
[M]- 148.10059858 128.9
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