CID 22407986

7-(methylamino)heptan-1-ol

Structural Information

Molecular Formula
C8H19NO
SMILES
CNCCCCCCCO
InChI
InChI=1S/C8H19NO/c1-9-7-5-3-2-4-6-8-10/h9-10H,2-8H2,1H3
InChIKey
PCHBEKKEZRNRFU-UHFFFAOYSA-N
Compound name
7-(methylamino)heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

145.14667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 134.0
[M+Na]+ 168.13589 142.9
[M+NH4]+ 163.18049 141.7
[M+K]+ 184.10983 136.7
[M-H]- 144.13939 133.8
[M+Na-2H]- 166.12134 137.3
[M]+ 145.14612 134.9
[M]- 145.14722 134.9
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