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]+ 148.133206 135.9
[M+Na]+ 170.115148 140.9
[M-H]- 146.118654 134.0
[M+NH4]+ 165.159753 155.9
[M+K]+ 186.089088 140.9
[M+H-H2O]+ 130.123190 130.8
[M+HCOO]- 192.124131 156.6
[M+CH3COO]- 206.139781 177.4
[M+Na-2H]- 168.100596 138.3
[M]+ 147.12538142 135.3
[M]- 147.12647858 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