CID 44790

2-heptanol, 2,4-dimethyl-6-methylamino-, hydrochloride

Structural Information

Molecular Formula
C10H23NO
SMILES
CC(CC(C)NC)CC(C)(C)O
InChI
InChI=1S/C10H23NO/c1-8(6-9(2)11-5)7-10(3,4)12/h8-9,11-12H,6-7H2,1-5H3
InChIKey
HWWKKJMBDNJRHD-UHFFFAOYSA-N
Compound name
2,4-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]+ 174.185236 145.4
[M+Na]+ 196.167178 149.6
[M-H]- 172.170684 143.9
[M+NH4]+ 191.211783 164.9
[M+K]+ 212.141118 149.2
[M+H-H2O]+ 156.175220 140.8
[M+HCOO]- 218.176161 164.0
[M+CH3COO]- 232.191811 185.5
[M+Na-2H]- 194.152626 148.1
[M]+ 173.17741142 145.0
[M]- 173.17850858 145.0
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.