CID 3067041

1-(2-methylbutoxy)-3-((1-methylethyl)amino)-2-propanol

Structural Information

Molecular Formula
C11H25NO2
SMILES
CCC(C)COCC(CNC(C)C)O
InChI
InChI=1S/C11H25NO2/c1-5-10(4)7-14-8-11(13)6-12-9(2)3/h9-13H,5-8H2,1-4H3
InChIKey
UHNFCMGNHLSROG-UHFFFAOYSA-N
Compound name
1-(2-methylbutoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.18852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.19580 154.3
[M+Na]+ 226.17774 157.5
[M-H]- 202.18124 152.4
[M+NH4]+ 221.22234 172.4
[M+K]+ 242.15168 157.3
[M+H-H2O]+ 186.18578 148.6
[M+HCOO]- 248.18672 173.4
[M+CH3COO]- 262.20237 191.0
[M+Na-2H]- 224.16319 154.4
[M]+ 203.18797 155.6
[M]- 203.18907 155.6
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