CID 79135495

3-[1-(aminomethyl)cyclobutyl]oxolan-3-ol

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CC(C1)(CN)C2(CCOC2)O
InChI
InChI=1S/C9H17NO2/c10-6-8(2-1-3-8)9(11)4-5-12-7-9/h11H,1-7,10H2
InChIKey
XJNSVATUXXCBCZ-UHFFFAOYSA-N
Compound name
3-[1-(aminomethyl)cyclobutyl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 135.6
[M+Na]+ 194.11515 139.3
[M-H]- 170.11865 140.7
[M+NH4]+ 189.15975 152.0
[M+K]+ 210.08909 141.6
[M+H-H2O]+ 154.12319 127.1
[M+HCOO]- 216.12413 154.5
[M+CH3COO]- 230.13978 178.8
[M+Na-2H]- 192.10060 141.2
[M]+ 171.12538 139.7
[M]- 171.12648 139.7
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

No patent data available for this compound.