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

12
Patents

143.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 133.6
[M+Na]+ 166.120228 138.2
[M-H]- 142.123734 136.8
[M+NH4]+ 161.164833 153.3
[M+K]+ 182.094168 138.7
[M+H-H2O]+ 126.128270 128.1
[M+HCOO]- 188.129211 152.8
[M+CH3COO]- 202.144861 177.5
[M+Na-2H]- 164.105676 137.6
[M]+ 143.13046142 128.9
[M]- 143.13155858 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