CID 470017

2-[2-(isopropylamino)ethylamino]butan-1-ol

Structural Information

Molecular Formula
C9H22N2O
SMILES
CCC(CO)NCCNC(C)C
InChI
InChI=1S/C9H22N2O/c1-4-9(7-12)11-6-5-10-8(2)3/h8-12H,4-7H2,1-3H3
InChIKey
OAZTWOHREKGOLO-UHFFFAOYSA-N
Compound name
2-[2-(propan-2-ylamino)ethylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

174.17322 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.18050 145.6
[M+Na]+ 197.16244 148.8
[M-H]- 173.16594 143.8
[M+NH4]+ 192.20704 164.5
[M+K]+ 213.13638 148.2
[M+H-H2O]+ 157.17048 139.7
[M+HCOO]- 219.17142 167.0
[M+CH3COO]- 233.18707 187.1
[M+Na-2H]- 195.14789 148.2
[M]+ 174.17267 144.4
[M]- 174.17377 144.4
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.