CID 295957

7539-61-9

Structural Information

Molecular Formula
C9H21NO
SMILES
CC(C)N(CCCO)C(C)C
InChI
InChI=1S/C9H21NO/c1-8(2)10(9(3)4)6-5-7-11/h8-9,11H,5-7H2,1-4H3
InChIKey
OWPYHAWCSDPFTR-UHFFFAOYSA-N
Compound name
3-[di(propan-2-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

159.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16959 141.5
[M+Na]+ 182.15153 145.9
[M-H]- 158.15503 141.4
[M+NH4]+ 177.19613 162.1
[M+K]+ 198.12547 146.7
[M+H-H2O]+ 142.15957 136.2
[M+HCOO]- 204.16051 162.5
[M+CH3COO]- 218.17616 185.7
[M+Na-2H]- 180.13698 143.2
[M]+ 159.16176 142.5
[M]- 159.16286 142.5
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

patents stripe