CID 56828069

4-amino-2-methylhexan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CCC(CC(C)CO)N
InChI
InChI=1S/C7H17NO/c1-3-7(8)4-6(2)5-9/h6-7,9H,3-5,8H2,1-2H3
InChIKey
SBJSMWHMOBKEDA-UHFFFAOYSA-N
Compound name
4-amino-2-methylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 133.1
[M+Na]+ 154.12023 138.1
[M-H]- 130.12373 131.3
[M+NH4]+ 149.16483 153.9
[M+K]+ 170.09417 137.7
[M+H-H2O]+ 114.12827 128.3
[M+HCOO]- 176.12921 153.6
[M+CH3COO]- 190.14486 175.4
[M+Na-2H]- 152.10568 135.5
[M]+ 131.13046 131.0
[M]- 131.13156 131.0
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.