CID 201657

Valeramide, 2,2-diisopropyl-5-(dimethylamino)-

Structural Information

Molecular Formula
C13H28N2O
SMILES
CC(C)C(CCCN(C)C)(C(C)C)C(=O)N
InChI
InChI=1S/C13H28N2O/c1-10(2)13(11(3)4,12(14)16)8-7-9-15(5)6/h10-11H,7-9H2,1-6H3,(H2,14,16)
InChIKey
BEAIFHZLQZEVNX-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2,2-di(propan-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.22017 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.227446 160.9
[M+Na]+ 251.209388 163.8
[M-H]- 227.212894 161.4
[M+NH4]+ 246.253993 178.9
[M+K]+ 267.183328 164.6
[M+H-H2O]+ 211.217430 155.1
[M+HCOO]- 273.218371 180.3
[M+CH3COO]- 287.234021 204.9
[M+Na-2H]- 249.194836 159.9
[M]+ 228.21962142 161.8
[M]- 228.22071858 161.8
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.