CID 22408680

917827-91-9

Structural Information

Molecular Formula
C5H11NO
SMILES
C1C(CC1O)CN
InChI
InChI=1S/C5H11NO/c6-3-4-1-5(7)2-4/h4-5,7H,1-3,6H2
InChIKey
KOAINJWHBAJGSO-UHFFFAOYSA-N
Compound name
3-(aminomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

101.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 119.6
[M+Na]+ 124.073278 125.0
[M-H]- 100.076784 121.5
[M+NH4]+ 119.117883 135.2
[M+K]+ 140.047218 127.2
[M+H-H2O]+ 84.081320 109.7
[M+HCOO]- 146.082261 141.0
[M+CH3COO]- 160.097911 170.4
[M+Na-2H]- 122.058726 124.8
[M]+ 101.08351142 124.3
[M]- 101.08460858 124.3
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