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

1578
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

literature stripe

Patent stripe

patents stripe