CID 273840

1,3-bis(isopropylamino)propan-2-ol

Structural Information

Molecular Formula
C9H22N2O
SMILES
CC(C)NCC(CNC(C)C)O
InChI
InChI=1S/C9H22N2O/c1-7(2)10-5-9(12)6-11-8(3)4/h7-12H,5-6H2,1-4H3
InChIKey
KUKNLWUAKYIWDI-UHFFFAOYSA-N
Compound name
1,3-bis(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

16
Patents

174.17322 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.18050 146.3
[M+Na]+ 197.16244 149.4
[M-H]- 173.16594 144.7
[M+NH4]+ 192.20704 165.2
[M+K]+ 213.13638 149.3
[M+H-H2O]+ 157.17048 140.6
[M+HCOO]- 219.17142 166.8
[M+CH3COO]- 233.18707 188.0
[M+Na-2H]- 195.14789 147.6
[M]+ 174.17267 144.5
[M]- 174.17377 144.5
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.