CID 18373815

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

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C1(CCC1)O)N
InChI
InChI=1S/C6H13NO/c1-5(7)6(8)3-2-4-6/h5,8H,2-4,7H2,1H3
InChIKey
WUAPKYRZCWXZIC-UHFFFAOYSA-N
Compound name
1-(1-aminoethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 126.9
[M+Na]+ 138.08894 131.2
[M+NH4]+ 133.13354 132.5
[M+K]+ 154.06288 127.1
[M-H]- 114.09244 125.1
[M+Na-2H]- 136.07439 129.8
[M]+ 115.09917 125.7
[M]- 115.10027 125.7
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