CID 54515541

6-aminoheptan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

131.13101 Da
Monoisotopic Mass

0.5
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