CID 44792

2-heptanol, 2,5-dimethyl-6-methylamino-, hydrochloride

Structural Information

Molecular Formula
C10H23NO
SMILES
CC(CCC(C)(C)O)C(C)NC
InChI
InChI=1S/C10H23NO/c1-8(9(2)11-5)6-7-10(3,4)12/h8-9,11-12H,6-7H2,1-5H3
InChIKey
LNTOCXBJESPDOH-UHFFFAOYSA-N
Compound name
2,5-dimethyl-6-(methylamino)heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.17796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.18524 144.0
[M+Na]+ 196.16718 151.5
[M+NH4]+ 191.21178 150.8
[M+K]+ 212.14112 147.7
[M-H]- 172.17068 142.6
[M+Na-2H]- 194.15263 145.9
[M]+ 173.17741 144.4
[M]- 173.17851 144.4
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.