CID 21608

N-(1,1,3,3-tetramethylbutyl)acetamide

Structural Information

Molecular Formula
C10H21NO
SMILES
CC(=O)NC(C)(C)CC(C)(C)C
InChI
InChI=1S/C10H21NO/c1-8(12)11-10(5,6)7-9(2,3)4/h7H2,1-6H3,(H,11,12)
InChIKey
NXQYSOPMKXVSTC-UHFFFAOYSA-N
Compound name
N-(2,4,4-trimethylpentan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

171.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.16959 143.0
[M+Na]+ 194.15153 151.2
[M+NH4]+ 189.19613 149.9
[M+K]+ 210.12547 147.4
[M-H]- 170.15503 141.5
[M+Na-2H]- 192.13698 145.7
[M]+ 171.16176 143.6
[M]- 171.16286 143.6
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