CID 222375

2-chloro-n-octylacetamide

Structural Information

Molecular Formula
C10H20ClNO
SMILES
CCCCCCCCNC(=O)CCl
InChI
InChI=1S/C10H20ClNO/c1-2-3-4-5-6-7-8-12-10(13)9-11/h2-9H2,1H3,(H,12,13)
InChIKey
RJTYTPKXNAFDHK-UHFFFAOYSA-N
Compound name
2-chloro-N-octylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

205.12334 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.130616 149.8
[M+Na]+ 228.112558 155.4
[M-H]- 204.116064 149.2
[M+NH4]+ 223.157163 169.5
[M+K]+ 244.086498 152.1
[M+H-H2O]+ 188.120600 145.2
[M+HCOO]- 250.121541 168.2
[M+CH3COO]- 264.137191 189.1
[M+Na-2H]- 226.098006 153.2
[M]+ 205.12279142 153.6
[M]- 205.12388858 153.6
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

patents stripe