CID 44674

4-amino-2-methylhexan-3-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CCC(C(C(C)C)O)N
InChI
InChI=1S/C7H17NO/c1-4-6(8)7(9)5(2)3/h5-7,9H,4,8H2,1-3H3
InChIKey
KHRLRJPSKWLLPI-UHFFFAOYSA-N
Compound name
4-amino-2-methylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 133.4
[M+Na]+ 154.12023 138.3
[M-H]- 130.12373 131.7
[M+NH4]+ 149.16483 154.2
[M+K]+ 170.09417 138.3
[M+H-H2O]+ 114.12827 128.7
[M+HCOO]- 176.12921 153.0
[M+CH3COO]- 190.14486 176.3
[M+Na-2H]- 152.10568 134.6
[M]+ 131.13046 130.7
[M]- 131.13156 130.7
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

patents stripe