CID 63760936

1-[(oxan-4-yl)methyl]azetidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1COCCC1CN2CC(C2)N
InChI
InChI=1S/C9H18N2O/c10-9-6-11(7-9)5-8-1-3-12-4-2-8/h8-9H,1-7,10H2
InChIKey
JFHOQPOOLHNZHC-UHFFFAOYSA-N
Compound name
1-(oxan-4-ylmethyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 135.2
[M+Na]+ 193.131118 137.9
[M-H]- 169.134624 139.4
[M+NH4]+ 188.175723 145.7
[M+K]+ 209.105058 140.9
[M+H-H2O]+ 153.139160 122.6
[M+HCOO]- 215.140101 152.1
[M+CH3COO]- 229.155751 183.9
[M+Na-2H]- 191.116566 139.7
[M]+ 170.14135142 137.9
[M]- 170.14244858 137.9
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.