CID 14178859

1-aminoheptan-2-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CCCCCC(CN)O
InChI
InChI=1S/C7H17NO/c1-2-3-4-5-7(9)6-8/h7,9H,2-6,8H2,1H3
InChIKey
QLELJGOOIWJCOZ-UHFFFAOYSA-N
Compound name
1-aminoheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

191
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 130.2
[M+Na]+ 154.12023 138.6
[M+NH4]+ 149.16483 137.7
[M+K]+ 170.09417 133.7
[M-H]- 130.12373 129.6
[M+Na-2H]- 152.10568 132.9
[M]+ 131.13046 130.9
[M]- 131.13156 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe