CID 60809013

2-chloro-n-(2-methylpropyl)-n-(propan-2-yl)acetamide

Structural Information

Molecular Formula
C9H18ClNO
SMILES
CC(C)CN(C(C)C)C(=O)CCl
InChI
InChI=1S/C9H18ClNO/c1-7(2)6-11(8(3)4)9(12)5-10/h7-8H,5-6H2,1-4H3
InChIKey
NSOZCRVCADMVSW-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.114976 144.6
[M+Na]+ 214.096918 150.5
[M-H]- 190.100424 146.1
[M+NH4]+ 209.141523 165.5
[M+K]+ 230.070858 149.8
[M+H-H2O]+ 174.104960 140.4
[M+HCOO]- 236.105901 162.0
[M+CH3COO]- 250.121551 191.4
[M+Na-2H]- 212.082366 145.4
[M]+ 191.10715142 148.2
[M]- 191.10824858 148.2
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.