CID 21515090

2-(cyclobutylamino)ethan-1-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(C1)NCCO
InChI
InChI=1S/C6H13NO/c8-5-4-7-6-2-1-3-6/h6-8H,1-5H2
InChIKey
KYRHCYMKJGANFI-UHFFFAOYSA-N
Compound name
2-(cyclobutylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.0
[M+Na]+ 138.088938 127.1
[M-H]- 114.092444 124.8
[M+NH4]+ 133.133543 138.0
[M+K]+ 154.062878 129.4
[M+H-H2O]+ 98.096980 112.6
[M+HCOO]- 160.097921 144.7
[M+CH3COO]- 174.113571 173.0
[M+Na-2H]- 136.074386 129.4
[M]+ 115.09917142 128.7
[M]- 115.10026858 128.7
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