CID 103376818

2-[(1-amino-3-methylbutan-2-yl)oxy]ethan-1-ol

Structural Information

Molecular Formula
C7H17NO2
SMILES
CC(C)C(CN)OCCO
InChI
InChI=1S/C7H17NO2/c1-6(2)7(5-8)10-4-3-9/h6-7,9H,3-5,8H2,1-2H3
InChIKey
JNMWLQKVVUGUFJ-UHFFFAOYSA-N
Compound name
2-(1-amino-3-methylbutan-2-yl)oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.12593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.13321 135.9
[M+Na]+ 170.11515 140.9
[M-H]- 146.11865 134.0
[M+NH4]+ 165.15975 155.9
[M+K]+ 186.08909 140.9
[M+H-H2O]+ 130.12319 130.8
[M+HCOO]- 192.12413 156.6
[M+CH3COO]- 206.13978 177.4
[M+Na-2H]- 168.10060 138.3
[M]+ 147.12538 135.3
[M]- 147.12648 135.3
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