CID 10942457

6-(methylamino)hexan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CNCCCCCCO
InChI
InChI=1S/C7H17NO/c1-8-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3
InChIKey
RURWAYHDLRPVAE-UHFFFAOYSA-N
Compound name
6-(methylamino)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
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 131.1
[M+Na]+ 154.12023 136.5
[M-H]- 130.12373 129.6
[M+NH4]+ 149.16483 152.3
[M+K]+ 170.09417 135.6
[M+H-H2O]+ 114.12827 126.2
[M+HCOO]- 176.12921 154.3
[M+CH3COO]- 190.14486 174.3
[M+Na-2H]- 152.10568 137.3
[M]+ 131.13046 131.4
[M]- 131.13156 131.4
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