CID 46785833

2-(propan-2-yl)oxan-4-amine

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)C1CC(CCO1)N
InChI
InChI=1S/C8H17NO/c1-6(2)8-5-7(9)3-4-10-8/h6-8H,3-5,9H2,1-2H3
InChIKey
QTKZZBJRJATJQY-UHFFFAOYSA-N
Compound name
2-propan-2-yloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

143.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.6
[M+Na]+ 166.12023 138.2
[M-H]- 142.12373 136.8
[M+NH4]+ 161.16483 153.3
[M+K]+ 182.09417 138.7
[M+H-H2O]+ 126.12827 128.1
[M+HCOO]- 188.12921 152.8
[M+CH3COO]- 202.14486 177.5
[M+Na-2H]- 164.10568 137.6
[M]+ 143.13046 128.9
[M]- 143.13156 128.9
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

patents stripe