CID 14145422

N-methyloxan-3-amine

Structural Information

Molecular Formula
C6H13NO
SMILES
CNC1CCCOC1
InChI
InChI=1S/C6H13NO/c1-7-6-3-2-4-8-5-6/h6-7H,2-5H2,1H3
InChIKey
CBPPRONALWRIKK-UHFFFAOYSA-N
Compound name
N-methyloxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.3
[M+Na]+ 138.088938 128.0
[M-H]- 114.092444 126.8
[M+NH4]+ 133.133543 144.0
[M+K]+ 154.062878 128.9
[M+H-H2O]+ 98.096980 117.7
[M+HCOO]- 160.097921 144.8
[M+CH3COO]- 174.113571 170.0
[M+Na-2H]- 136.074386 131.4
[M]+ 115.09917142 119.0
[M]- 115.10026858 119.0
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