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

29
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 127.8
[M+Na]+ 138.08894 132.5
[M-H]- 114.09244 129.7
[M+NH4]+ 133.13354 144.5
[M+K]+ 154.06288 134.9
[M+H-H2O]+ 98.096980 118.9
[M+HCOO]- 160.09792 147.9
[M+CH3COO]- 174.11357 172.7
[M+Na-2H]- 136.07439 132.7
[M]+ 115.09917 132.2
[M]- 115.10027 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