CID 45791005

1177335-83-9

Structural Information

Molecular Formula
C8H17NO
SMILES
CNCCC1CCCCO1
InChI
InChI=1S/C8H17NO/c1-9-6-5-8-4-2-3-7-10-8/h8-9H,2-7H2,1H3
InChIKey
BTHOXOWVAORCIM-UHFFFAOYSA-N
Compound name
N-methyl-2-(oxan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

143.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 132.5
[M+Na]+ 166.120228 136.4
[M-H]- 142.123734 135.7
[M+NH4]+ 161.164833 152.2
[M+K]+ 182.094168 136.8
[M+H-H2O]+ 126.128270 126.6
[M+HCOO]- 188.129211 153.4
[M+CH3COO]- 202.144861 176.1
[M+Na-2H]- 164.105676 139.5
[M]+ 143.13046142 129.0
[M]- 143.13155858 129.0
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