CID 79124685

1-[1-(aminomethyl)cyclobutyl]cyclobutan-1-ol

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC(C1)(CN)C2(CCC2)O
InChI
InChI=1S/C9H17NO/c10-7-8(3-1-4-8)9(11)5-2-6-9/h11H,1-7,10H2
InChIKey
UIRGZQQFLORBCF-UHFFFAOYSA-N
Compound name
1-[1-(aminomethyl)cyclobutyl]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 135.4
[M+Na]+ 178.120228 138.4
[M-H]- 154.123734 139.9
[M+NH4]+ 173.164833 145.1
[M+K]+ 194.094168 142.0
[M+H-H2O]+ 138.128270 123.1
[M+HCOO]- 200.129211 152.7
[M+CH3COO]- 214.144861 188.3
[M+Na-2H]- 176.105676 140.4
[M]+ 155.13046142 147.2
[M]- 155.13155858 147.2
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

No patent data available for this compound.