CID 3040307

52030-06-5

Structural Information

Molecular Formula
C11H22ClNO
SMILES
CCCC(CCC)C(C)NC(=O)CCl
InChI
InChI=1S/C11H22ClNO/c1-4-6-10(7-5-2)9(3)13-11(14)8-12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKey
XSCQBMDVQIGAMV-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-propylhexan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13899 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14627 154.9
[M+Na]+ 242.12821 159.7
[M-H]- 218.13171 154.5
[M+NH4]+ 237.17281 174.1
[M+K]+ 258.10215 157.1
[M+H-H2O]+ 202.13625 150.4
[M+HCOO]- 264.13719 171.1
[M+CH3COO]- 278.15284 193.8
[M+Na-2H]- 240.11366 155.3
[M]+ 219.13844 157.9
[M]- 219.13954 157.9
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.