CID 121207910

2-(3,3-dimethoxycyclobutyl)ethan-1-amine

Structural Information

Molecular Formula
C8H17NO2
SMILES
COC1(CC(C1)CCN)OC
InChI
InChI=1S/C8H17NO2/c1-10-8(11-2)5-7(6-8)3-4-9/h7H,3-6,9H2,1-2H3
InChIKey
CNDNCYSRIBIJFN-UHFFFAOYSA-N
Compound name
2-(3,3-dimethoxycyclobutyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 135.4
[M+Na]+ 182.11515 140.7
[M-H]- 158.11865 138.5
[M+NH4]+ 177.15975 151.3
[M+K]+ 198.08909 143.6
[M+H-H2O]+ 142.12319 125.9
[M+HCOO]- 204.12413 157.5
[M+CH3COO]- 218.13978 183.4
[M+Na-2H]- 180.10060 140.6
[M]+ 159.12538 144.8
[M]- 159.12648 144.8
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.