CID 3024588

Tr 312

Structural Information

Molecular Formula
C12H26N2O
SMILES
CC(C)(C)CC(C)(C)NC(=O)CN(C)C
InChI
InChI=1S/C12H26N2O/c1-11(2,3)9-12(4,5)13-10(15)8-14(6)7/h8-9H2,1-7H3,(H,13,15)
InChIKey
NOLLGYSPPHOPPV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.20451 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.21179 154.7
[M+Na]+ 237.19373 159.1
[M-H]- 213.19723 156.2
[M+NH4]+ 232.23833 173.9
[M+K]+ 253.16767 159.9
[M+H-H2O]+ 197.20177 149.7
[M+HCOO]- 259.20271 175.5
[M+CH3COO]- 273.21836 199.8
[M+Na-2H]- 235.17918 158.7
[M]+ 214.20396 156.9
[M]- 214.20506 156.9
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.