CID 3024336

Einecs 305-156-6

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1(CC(CC(C1)(C)CN)NC(=O)C2=CC=CC=C2O)C
InChI
InChI=1S/C17H26N2O2/c1-16(2)8-12(9-17(3,10-16)11-18)19-15(21)13-6-4-5-7-14(13)20/h4-7,12,20H,8-11,18H2,1-3H3,(H,19,21)
InChIKey
ZRHYJVFRWFDYMK-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 169.6
[M+Na]+ 313.188648 174.6
[M-H]- 289.192154 174.1
[M+NH4]+ 308.233253 187.7
[M+K]+ 329.162588 171.2
[M+H-H2O]+ 273.196690 163.6
[M+HCOO]- 335.197631 188.1
[M+CH3COO]- 349.213281 205.4
[M+Na-2H]- 311.174096 171.6
[M]+ 290.19888142 164.7
[M]- 290.19997858 164.7
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.