CID 28255

Aranthol hydrochloride

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
1
Annotation Hits

0
References

12
Patents

159.16231 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16959 139.3
[M+Na]+ 182.15153 147.3
[M+NH4]+ 177.19613 146.4
[M+K]+ 198.12547 142.9
[M-H]- 158.15503 138.2
[M+Na-2H]- 180.13698 141.8
[M]+ 159.16176 139.8
[M]- 159.16286 139.8
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