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

218
Patents

143.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 132.4
[M+Na]+ 166.120228 137.2
[M-H]- 142.123734 135.4
[M+NH4]+ 161.164833 153.8
[M+K]+ 182.094168 137.5
[M+H-H2O]+ 126.128270 127.3
[M+HCOO]- 188.129211 152.6
[M+CH3COO]- 202.144861 175.0
[M+Na-2H]- 164.105676 139.4
[M]+ 143.13046142 128.2
[M]- 143.13155858 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