CID 54593394

3-methoxy-2-methylpropane-1,2-diamine

Structural Information

Molecular Formula
C5H14N2O
SMILES
CC(CN)(COC)N
InChI
InChI=1S/C5H14N2O/c1-5(7,3-6)4-8-2/h3-4,6-7H2,1-2H3
InChIKey
CYHVALFTSWLECK-UHFFFAOYSA-N
Compound name
3-methoxy-2-methylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

118.11061 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.117886 125.8
[M+Na]+ 141.099828 132.1
[M-H]- 117.103334 125.3
[M+NH4]+ 136.144433 147.4
[M+K]+ 157.073768 132.1
[M+H-H2O]+ 101.107870 121.2
[M+HCOO]- 163.108811 149.3
[M+CH3COO]- 177.124461 174.8
[M+Na-2H]- 139.085276 132.2
[M]+ 118.11006142 123.9
[M]- 118.11115858 123.9
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