CID 45079691

221137-23-1

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC2=C(C1)N=C(C=C2)CN
InChI
InChI=1S/C9H12N2/c10-6-8-5-4-7-2-1-3-9(7)11-8/h4-5H,1-3,6,10H2
InChIKey
NYGSKYXLMNWEQK-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 129.7
[M+Na]+ 171.08927 137.6
[M-H]- 147.09277 132.4
[M+NH4]+ 166.13387 152.2
[M+K]+ 187.06321 134.8
[M+H-H2O]+ 131.09731 123.4
[M+HCOO]- 193.09825 152.7
[M+CH3COO]- 207.11390 143.4
[M+Na-2H]- 169.07472 136.3
[M]+ 148.09950 126.9
[M]- 148.10060 126.9
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