CID 17750935

40500-01-4

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CCOC(C1)CCN
InChI
InChI=1S/C7H15NO/c8-5-4-7-3-1-2-6-9-7/h7H,1-6,8H2
InChIKey
XHMSRGDEBWJLBE-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.4
[M+Na]+ 152.104588 132.7
[M-H]- 128.108094 131.2
[M+NH4]+ 147.149193 148.3
[M+K]+ 168.078528 133.0
[M+H-H2O]+ 112.112630 122.7
[M+HCOO]- 174.113571 148.9
[M+CH3COO]- 188.129221 172.4
[M+Na-2H]- 150.090036 134.9
[M]+ 129.11482142 123.5
[M]- 129.11591858 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

No literature data available for this compound.

Patent stripe

patents stripe