CID 53413882

3-amino-5-methylhexan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
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 130.8
[M+Na]+ 154.12023 138.9
[M+NH4]+ 149.16483 138.2
[M+K]+ 170.09417 134.8
[M-H]- 130.12373 130.0
[M+Na-2H]- 152.10568 133.1
[M]+ 131.13046 131.4
[M]- 131.13156 131.4
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