CID 54561865

2-[cyclobutyl(methyl)amino]ethan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
CN(CCO)C1CCC1
InChI
InChI=1S/C7H15NO/c1-8(5-6-9)7-3-2-4-7/h7,9H,2-6H2,1H3
InChIKey
ZRCQQVRVHCCBSC-UHFFFAOYSA-N
Compound name
2-[cyclobutyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.4
[M+Na]+ 152.104588 132.3
[M-H]- 128.108094 131.6
[M+NH4]+ 147.149193 143.5
[M+K]+ 168.078528 135.7
[M+H-H2O]+ 112.112630 117.7
[M+HCOO]- 174.113571 150.3
[M+CH3COO]- 188.129221 179.3
[M+Na-2H]- 150.090036 133.5
[M]+ 129.11482142 135.7
[M]- 129.11591858 135.7
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