CID 5475987

Dowicil 75

Structural Information

Molecular Formula
C9H16ClN4
SMILES
C1N2CN3CN1C[N+](C2)(C3)C/C=C/Cl
InChI
InChI=1S/C9H16ClN4/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14/h1-2H,3-9H2/q+1/b2-1+
InChIKey
LDLCEGCJYSDJLX-OWOJBTEDSA-N
Compound name
1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

62
References

10681
Patents

215.10635 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11363 145.2
[M+Na]+ 238.09557 158.4
[M+NH4]+ 233.14017 157.9
[M+K]+ 254.06951 148.6
[M-H]- 214.09907 143.0
[M+Na-2H]- 236.08102 143.9
[M]+ 215.10580 147.1
[M]- 215.10690 147.1
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