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 145.4
[M+Na]+ 196.16718 149.6
[M-H]- 172.17068 143.9
[M+NH4]+ 191.21178 164.9
[M+K]+ 212.14112 149.2
[M+H-H2O]+ 156.17522 140.8
[M+HCOO]- 218.17616 164.0
[M+CH3COO]- 232.19181 185.5
[M+Na-2H]- 194.15263 148.1
[M]+ 173.17741 145.0
[M]- 173.17851 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.