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

47
Patents

145.14667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.153946 135.6
[M+Na]+ 168.135888 140.7
[M-H]- 144.139394 134.0
[M+NH4]+ 163.180493 156.2
[M+K]+ 184.109828 139.4
[M+H-H2O]+ 128.143930 130.5
[M+HCOO]- 190.144871 158.5
[M+CH3COO]- 204.160521 177.4
[M+Na-2H]- 166.121336 141.3
[M]+ 145.14612142 136.3
[M]- 145.14721858 136.3
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