CID 2773198

2-(oxan-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H15NO
SMILES
C1COCCC1CCN
InChI
InChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2
InChIKey
BZMADPOGYCRPAI-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

742
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.4
[M+Na]+ 152.10459 132.7
[M-H]- 128.10809 131.2
[M+NH4]+ 147.14919 148.3
[M+K]+ 168.07853 133.0
[M+H-H2O]+ 112.11263 122.7
[M+HCOO]- 174.11357 148.9
[M+CH3COO]- 188.12922 172.4
[M+Na-2H]- 150.09004 134.9
[M]+ 129.11482 123.5
[M]- 129.11592 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe