CID 63968211

2-(oxan-4-ylidene)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1COCCC1=CCN
InChI
InChI=1S/C7H13NO/c8-4-1-7-2-5-9-6-3-7/h1H,2-6,8H2
InChIKey
KLDHIENIFOFWBP-UHFFFAOYSA-N
Compound name
2-(oxan-4-ylidene)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.4
[M+Na]+ 150.08894 132.0
[M-H]- 126.09244 130.3
[M+NH4]+ 145.13354 147.4
[M+K]+ 166.06288 131.8
[M+H-H2O]+ 110.09698 121.8
[M+HCOO]- 172.09792 148.1
[M+CH3COO]- 186.11357 170.8
[M+Na-2H]- 148.07439 133.9
[M]+ 127.09917 121.7
[M]- 127.10027 121.7
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.