CID 43436655

1-amino-2,5-dimethylhexan-2-ol

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)CCC(C)(CN)O
InChI
InChI=1S/C8H19NO/c1-7(2)4-5-8(3,10)6-9/h7,10H,4-6,9H2,1-3H3
InChIKey
XSFNYFUUQXHUIJ-UHFFFAOYSA-N
Compound name
1-amino-2,5-dimethylhexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.14667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 136.6
[M+Na]+ 168.13589 141.9
[M-H]- 144.13939 134.9
[M+NH4]+ 163.18049 157.1
[M+K]+ 184.10983 141.2
[M+H-H2O]+ 128.14393 132.3
[M+HCOO]- 190.14487 156.3
[M+CH3COO]- 204.16052 177.8
[M+Na-2H]- 166.12134 140.5
[M]+ 145.14612 135.1
[M]- 145.14722 135.1
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.