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 140.8
[M+Na]+ 182.15153 145.7
[M-H]- 158.15503 139.4
[M+NH4]+ 177.19613 160.9
[M+K]+ 198.12547 145.0
[M+H-H2O]+ 142.15957 136.3
[M+HCOO]- 204.16051 160.8
[M+CH3COO]- 218.17616 181.5
[M+Na-2H]- 180.13698 145.2
[M]+ 159.16176 140.7
[M]- 159.16286 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