CID 53350376

2055840-67-8

Structural Information

Molecular Formula
C7H7ClN2
SMILES
C1C2=CC(=NC=C2CN1)Cl
InChI
InChI=1S/C7H7ClN2/c8-7-1-5-2-9-3-6(5)4-10-7/h1,4,9H,2-3H2
InChIKey
ZYALTSUCGPAPGG-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

154.02977 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03705 128.7
[M+Na]+ 177.01899 138.6
[M-H]- 153.02249 129.0
[M+NH4]+ 172.06359 150.1
[M+K]+ 192.99293 133.9
[M+H-H2O]+ 137.02703 122.6
[M+HCOO]- 199.02797 144.3
[M+CH3COO]- 213.04362 142.0
[M+Na-2H]- 175.00444 135.7
[M]+ 154.02922 127.3
[M]- 154.03032 127.3
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