CID 71757289

1-(2-aminoethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(C1)(CCN)O
InChI
InChI=1S/C6H13NO/c7-5-4-6(8)2-1-3-6/h8H,1-5,7H2
InChIKey
WWLKXJUIICTWFX-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.6
[M+Na]+ 138.08894 130.6
[M-H]- 114.09244 127.4
[M+NH4]+ 133.13354 142.3
[M+K]+ 154.06288 132.5
[M+H-H2O]+ 98.096980 116.7
[M+HCOO]- 160.09792 146.7
[M+CH3COO]- 174.11357 171.9
[M+Na-2H]- 136.07439 131.9
[M]+ 115.09917 130.7
[M]- 115.10027 130.7
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