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

51
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 135.6
[M+Na]+ 168.13589 140.7
[M-H]- 144.13939 134.0
[M+NH4]+ 163.18049 156.2
[M+K]+ 184.10983 139.4
[M+H-H2O]+ 128.14393 130.5
[M+HCOO]- 190.14487 158.5
[M+CH3COO]- 204.16052 177.4
[M+Na-2H]- 166.12134 141.3
[M]+ 145.14612 136.3
[M]- 145.14722 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