CID 101594

123-84-2

Structural Information

Molecular Formula
C5H14N2O
SMILES
CC(CNCCN)O
InChI
InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3
InChIKey
CWKVFRNCODQPDB-UHFFFAOYSA-N
Compound name
1-(2-aminoethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

5757
Patents

118.11061 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.11789 126.7
[M+Na]+ 141.09983 131.9
[M-H]- 117.10333 125.1
[M+NH4]+ 136.14443 147.6
[M+K]+ 157.07377 131.5
[M+H-H2O]+ 101.10787 121.6
[M+HCOO]- 163.10881 149.9
[M+CH3COO]- 177.12446 173.4
[M+Na-2H]- 139.08528 131.7
[M]+ 118.11006 123.7
[M]- 118.11116 123.7
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

No patent data available for this compound.