CID 28260009

180205-28-1

Structural Information

Molecular Formula
C5H11NO
SMILES
C1CC(C1)(CN)O
InChI
InChI=1S/C5H11NO/c6-4-5(7)2-1-3-5/h7H,1-4,6H2
InChIKey
QMRGVILFWQUZKR-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

582
Patents

101.08406 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 121.0
[M+Na]+ 124.073278 126.5
[M-H]- 100.076784 123.0
[M+NH4]+ 119.117883 138.3
[M+K]+ 140.047218 128.6
[M+H-H2O]+ 84.081320 112.3
[M+HCOO]- 146.082261 142.4
[M+CH3COO]- 160.097911 168.9
[M+Na-2H]- 122.058726 127.9
[M]+ 101.08351142 125.7
[M]- 101.08460858 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