CID 138039863

2241130-91-4

Structural Information

Molecular Formula
C9H16ClN
SMILES
C1CCN2CCCC2(C1)CCl
InChI
InChI=1S/C9H16ClN/c10-8-9-4-1-2-6-11(9)7-3-5-9/h1-8H2
InChIKey
RDFXMRKHBVABMR-UHFFFAOYSA-N
Compound name
8a-(chloromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.09712 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10440 139.6
[M+Na]+ 196.08634 145.9
[M-H]- 172.08984 141.3
[M+NH4]+ 191.13094 163.7
[M+K]+ 212.06028 142.3
[M+H-H2O]+ 156.09438 134.0
[M+HCOO]- 218.09532 153.0
[M+CH3COO]- 232.11097 151.7
[M+Na-2H]- 194.07179 144.4
[M]+ 173.09657 135.6
[M]- 173.09767 135.6
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.