CID 97712

2-propanol, 1-[bis(2-hydroxyethyl)amino]-

Structural Information

Molecular Formula
C7H17NO3
SMILES
CC(CN(CCO)CCO)O
InChI
InChI=1S/C7H17NO3/c1-7(11)6-8(2-4-9)3-5-10/h7,9-11H,2-6H2,1H3
InChIKey
ZFECCYLNALETDE-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxyethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1555
Patents

163.12085 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12813 138.6
[M+Na]+ 186.11007 143.1
[M-H]- 162.11357 135.8
[M+NH4]+ 181.15467 157.5
[M+K]+ 202.08401 143.0
[M+H-H2O]+ 146.11811 133.4
[M+HCOO]- 208.11905 158.7
[M+CH3COO]- 222.13470 177.5
[M+Na-2H]- 184.09552 141.5
[M]+ 163.12030 138.5
[M]- 163.12140 138.5
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.