CID 67928465

1408076-16-3

Structural Information

Molecular Formula
C5H11NO
SMILES
CNCC1COC1
InChI
InChI=1S/C5H11NO/c1-6-2-5-3-7-4-5/h5-6H,2-4H2,1H3
InChIKey
CIDOSSZBMLLCNI-UHFFFAOYSA-N
Compound name
N-methyl-1-(oxetan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

101.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 115.9
[M+Na]+ 124.07328 120.9
[M-H]- 100.07678 120.0
[M+NH4]+ 119.11788 131.0
[M+K]+ 140.04722 125.4
[M+H-H2O]+ 84.081320 105.8
[M+HCOO]- 146.08226 138.7
[M+CH3COO]- 160.09791 172.5
[M+Na-2H]- 122.05873 124.7
[M]+ 101.08351 123.8
[M]- 101.08461 123.8
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