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

282
Patents

131.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 131.1
[M+Na]+ 154.120228 136.5
[M-H]- 130.123734 129.6
[M+NH4]+ 149.164833 152.3
[M+K]+ 170.094168 135.6
[M+H-H2O]+ 114.128270 126.2
[M+HCOO]- 176.129211 154.3
[M+CH3COO]- 190.144861 174.3
[M+Na-2H]- 152.105676 137.3
[M]+ 131.13046142 131.4
[M]- 131.13155858 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