CID 91666154

115122-66-2

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CCC2=C(CC1)N=C(C=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h6-7H,1-5H2
InChIKey
YOGHPNCDTGHBFT-UHFFFAOYSA-N
Compound name
2-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.06583 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 132.7
[M+Na]+ 204.05505 140.1
[M-H]- 180.05855 136.2
[M+NH4]+ 199.09965 152.1
[M+K]+ 220.02899 139.7
[M+H-H2O]+ 164.06309 127.1
[M+HCOO]- 226.06403 147.9
[M+CH3COO]- 240.07968 145.3
[M+Na-2H]- 202.04050 140.2
[M]+ 181.06528 128.7
[M]- 181.06638 128.7
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

No patent data available for this compound.