CID 72941560

Fema no. 4603

Structural Information

Molecular Formula
C15H31NO2
SMILES
CC(C)C(C(C)C)(C(C)C)C(=O)NC(C)(C)CO
InChI
InChI=1S/C15H31NO2/c1-10(2)15(11(3)4,12(5)6)13(18)16-14(7,8)9-17/h10-12,17H,9H2,1-8H3,(H,16,18)
InChIKey
GZJLOYCAYZLBKN-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-2,2-di(propan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

306
Patents

257.23547 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.24275 166.2
[M+Na]+ 280.22469 168.8
[M-H]- 256.22819 164.4
[M+NH4]+ 275.26929 182.4
[M+K]+ 296.19863 168.7
[M+H-H2O]+ 240.23273 161.8
[M+HCOO]- 302.23367 180.3
[M+CH3COO]- 316.24932 203.1
[M+Na-2H]- 278.21014 165.3
[M]+ 257.23492 166.8
[M]- 257.23602 166.8
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

patents stripe