CID 57640201

2-(1,4-oxazepan-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H16N2O
SMILES
C1CN(CCOC1)CCN
InChI
InChI=1S/C7H16N2O/c8-2-4-9-3-1-6-10-7-5-9/h1-8H2
InChIKey
OKIPJNZTHGXISP-UHFFFAOYSA-N
Compound name
2-(1,4-oxazepan-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

144.12627 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 127.4
[M+Na]+ 167.115488 129.9
[M-H]- 143.118994 129.8
[M+NH4]+ 162.160093 144.0
[M+K]+ 183.089428 134.4
[M+H-H2O]+ 127.123530 120.4
[M+HCOO]- 189.124471 145.9
[M+CH3COO]- 203.140121 177.3
[M+Na-2H]- 165.100936 133.6
[M]+ 144.12572142 120.1
[M]- 144.12681858 120.1
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