CID 3016623

Einecs 257-052-4

Structural Information

Molecular Formula
C15H29NO2
SMILES
CC1CCCCC1(C(C)C)C(=O)NC(C)(C)CO
InChI
InChI=1S/C15H29NO2/c1-11(2)15(9-7-6-8-12(15)3)13(18)16-14(4,5)10-17/h11-12,17H,6-10H2,1-5H3,(H,16,18)
InChIKey
QMJDIAQPRSFILF-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.21983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.227106 164.1
[M+Na]+ 278.209048 166.7
[M-H]- 254.212554 165.1
[M+NH4]+ 273.253653 182.1
[M+K]+ 294.182988 165.4
[M+H-H2O]+ 238.217090 159.5
[M+HCOO]- 300.218031 178.9
[M+CH3COO]- 314.233681 198.2
[M+Na-2H]- 276.194496 165.0
[M]+ 255.21928142 160.3
[M]- 255.22037858 160.3
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.