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
2
Annotation Hits

3
References

29
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

literature stripe

Patent stripe

patents stripe