CID 123458

1-methoxy-2-propylamine

Structural Information

Molecular Formula
C4H11NO
SMILES
CC(COC)N
InChI
InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3
InChIKey
NXMXETCTWNXSFG-UHFFFAOYSA-N
Compound name
1-methoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3998
Patents

89.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 117.8
[M+Na]+ 112.07328 124.7
[M-H]- 88.076784 117.9
[M+NH4]+ 107.11788 141.1
[M+K]+ 128.04722 125.6
[M+H-H2O]+ 72.081320 113.4
[M+HCOO]- 134.08226 141.8
[M+CH3COO]- 148.09791 168.0
[M+Na-2H]- 110.05873 123.8
[M]+ 89.083511 117.2
[M]- 89.084609 117.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe