CID 21843651

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

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C1CCCCO1)N
InChI
InChI=1S/C7H15NO/c1-6(8)7-4-2-3-5-9-7/h6-7H,2-5,8H2,1H3
InChIKey
ZAZPZBYFJCQFDP-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.2
[M+Na]+ 152.10459 133.3
[M-H]- 128.10809 132.1
[M+NH4]+ 147.14919 149.1
[M+K]+ 168.07853 134.0
[M+H-H2O]+ 112.11263 123.6
[M+HCOO]- 174.11357 148.7
[M+CH3COO]- 188.12922 173.3
[M+Na-2H]- 150.09004 134.4
[M]+ 129.11482 123.7
[M]- 129.11592 123.7
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

patents stripe