CID 3016105

Einecs 254-579-1

Structural Information

Molecular Formula
C15H29NO2
SMILES
CC1CCC(C(C1)C(=O)NC(C)(C)CO)C(C)C
InChI
InChI=1S/C15H29NO2/c1-10(2)12-7-6-11(3)8-13(12)14(18)16-15(4,5)9-17/h10-13,17H,6-9H2,1-5H3,(H,16,18)
InChIKey
OCFYBPMZUITROQ-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

255.21983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.227106 164.6
[M+Na]+ 278.209048 167.3
[M-H]- 254.212554 165.7
[M+NH4]+ 273.253653 180.9
[M+K]+ 294.182988 165.6
[M+H-H2O]+ 238.217090 159.2
[M+HCOO]- 300.218031 179.4
[M+CH3COO]- 314.233681 199.9
[M+Na-2H]- 276.194496 163.6
[M]+ 255.21928142 160.9
[M]- 255.22037858 160.9
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

patents stripe