CID 15043904

2-(3-chloropropyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C6H9ClN2
SMILES
C1=CN=C(N1)CCCCl
InChI
InChI=1S/C6H9ClN2/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3H2,(H,8,9)
InChIKey
OLOFOLZWOJTRCH-UHFFFAOYSA-N
Compound name
2-(3-chloropropyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

144.04543 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05271 127.9
[M+Na]+ 167.03465 136.8
[M-H]- 143.03815 127.0
[M+NH4]+ 162.07925 148.5
[M+K]+ 183.00859 133.0
[M+H-H2O]+ 127.04269 121.6
[M+HCOO]- 189.04363 145.3
[M+CH3COO]- 203.05928 169.1
[M+Na-2H]- 165.02010 134.2
[M]+ 144.04488 128.1
[M]- 144.04598 128.1
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