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

23
Patents

205.12334 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13062 149.8
[M+Na]+ 228.11256 155.4
[M-H]- 204.11606 149.2
[M+NH4]+ 223.15716 169.5
[M+K]+ 244.08650 152.1
[M+H-H2O]+ 188.12060 145.2
[M+HCOO]- 250.12154 168.2
[M+CH3COO]- 264.13719 189.1
[M+Na-2H]- 226.09801 153.2
[M]+ 205.12279 153.6
[M]- 205.12389 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