CID 13842461

1-amino-3-(methylamino)propan-2-ol

Structural Information

Molecular Formula
C4H12N2O
SMILES
CNCC(CN)O
InChI
InChI=1S/C4H12N2O/c1-6-3-4(7)2-5/h4,6-7H,2-3,5H2,1H3
InChIKey
KLYMOBVXBBPTGW-UHFFFAOYSA-N
Compound name
1-amino-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

104.09496 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.10224 122.2
[M+Na]+ 127.08418 127.8
[M-H]- 103.08768 120.7
[M+NH4]+ 122.12878 143.6
[M+K]+ 143.05812 127.6
[M+H-H2O]+ 87.092220 117.3
[M+HCOO]- 149.09316 145.7
[M+CH3COO]- 163.10881 170.3
[M+Na-2H]- 125.06963 127.7
[M]+ 104.09441 118.8
[M]- 104.09551 118.8
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