CID 28255

Aranthol

Structural Information

Molecular Formula
C9H21NO
SMILES
CC(CCCC(C)(C)O)NC
InChI
InChI=1S/C9H21NO/c1-8(10-4)6-5-7-9(2,3)11/h8,10-11H,5-7H2,1-4H3
InChIKey
RKJHVHVICYLTJF-UHFFFAOYSA-N
Compound name
2-methyl-6-(methylamino)heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

159.16231 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 140.8
[M+Na]+ 182.151528 145.7
[M-H]- 158.155034 139.4
[M+NH4]+ 177.196133 160.9
[M+K]+ 198.125468 145.0
[M+H-H2O]+ 142.159570 136.3
[M+HCOO]- 204.160511 160.8
[M+CH3COO]- 218.176161 181.5
[M+Na-2H]- 180.136976 145.2
[M]+ 159.16176142 140.7
[M]- 159.16285858 140.7
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

patents stripe