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

23
Patents

118.11061 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.11789 125.8
[M+Na]+ 141.09983 132.1
[M-H]- 117.10333 125.3
[M+NH4]+ 136.14443 147.4
[M+K]+ 157.07377 132.1
[M+H-H2O]+ 101.10787 121.2
[M+HCOO]- 163.10881 149.3
[M+CH3COO]- 177.12446 174.8
[M+Na-2H]- 139.08528 132.2
[M]+ 118.11006 123.9
[M]- 118.11116 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