CID 130513371

3-[1-(aminomethyl)cyclopropyl]oxan-3-ol

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CC(COC1)(C2(CC2)CN)O
InChI
InChI=1S/C9H17NO2/c10-6-8(3-4-8)9(11)2-1-5-12-7-9/h11H,1-7,10H2
InChIKey
YGHHMEXCWAPDKY-UHFFFAOYSA-N
Compound name
3-[1-(aminomethyl)cyclopropyl]oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 136.7
[M+Na]+ 194.11515 143.5
[M-H]- 170.11865 142.9
[M+NH4]+ 189.15975 153.3
[M+K]+ 210.08909 144.0
[M+H-H2O]+ 154.12319 132.3
[M+HCOO]- 216.12413 155.1
[M+CH3COO]- 230.13978 179.5
[M+Na-2H]- 192.10060 144.6
[M]+ 171.12538 134.9
[M]- 171.12648 134.9
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.