CID 21300221

1823930-28-4

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1(CNC2=C1N=CC=C2)C
InChI
InChI=1S/C9H12N2/c1-9(2)6-11-7-4-3-5-10-8(7)9/h3-5,11H,6H2,1-2H3
InChIKey
FFWCUGKYCKPBMZ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

148.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 131.0
[M+Na]+ 171.08927 140.4
[M-H]- 147.09277 131.8
[M+NH4]+ 166.13387 154.1
[M+K]+ 187.06321 137.2
[M+H-H2O]+ 131.09731 124.8
[M+HCOO]- 193.09825 150.8
[M+CH3COO]- 207.11390 144.5
[M+Na-2H]- 169.07472 138.6
[M]+ 148.09950 128.9
[M]- 148.10060 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