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

27
Patents

115.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 127.8
[M+Na]+ 138.088938 132.5
[M-H]- 114.092444 129.7
[M+NH4]+ 133.133543 144.5
[M+K]+ 154.062878 134.9
[M+H-H2O]+ 98.096980 118.9
[M+HCOO]- 160.097921 147.9
[M+CH3COO]- 174.113571 172.7
[M+Na-2H]- 136.074386 132.7
[M]+ 115.09917142 132.2
[M]- 115.10026858 132.2
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