CID 25220539

1142202-08-1

Structural Information

Molecular Formula
C8H17NO
SMILES
CCC1(CCOCC1)CN
InChI
InChI=1S/C8H17NO/c1-2-8(7-9)3-5-10-6-4-8/h2-7,9H2,1H3
InChIKey
KLRKBAFQXKDRQU-UHFFFAOYSA-N
Compound name
(4-ethyloxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

143.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 132.4
[M+Na]+ 166.12023 137.2
[M-H]- 142.12373 135.4
[M+NH4]+ 161.16483 153.8
[M+K]+ 182.09417 137.5
[M+H-H2O]+ 126.12827 127.3
[M+HCOO]- 188.12921 152.6
[M+CH3COO]- 202.14486 175.0
[M+Na-2H]- 164.10568 139.4
[M]+ 143.13046 128.2
[M]- 143.13156 128.2
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