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

642
Patents

101.08406 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 121.0
[M+Na]+ 124.07328 126.5
[M-H]- 100.07678 123.0
[M+NH4]+ 119.11788 138.3
[M+K]+ 140.04722 128.6
[M+H-H2O]+ 84.081320 112.3
[M+HCOO]- 146.08226 142.4
[M+CH3COO]- 160.09791 168.9
[M+Na-2H]- 122.05873 127.9
[M]+ 101.08351 125.7
[M]- 101.08461 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