CID 64105126

2-tert-butyloxan-4-amine

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)C1CC(CCO1)N
InChI
InChI=1S/C9H19NO/c1-9(2,3)8-6-7(10)4-5-11-8/h7-8H,4-6,10H2,1-3H3
InChIKey
SCFYAMLANWTHKN-UHFFFAOYSA-N
Compound name
2-tert-butyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.1
[M+Na]+ 180.13589 142.1
[M-H]- 156.13939 140.3
[M+NH4]+ 175.18049 156.5
[M+K]+ 196.10983 142.3
[M+H-H2O]+ 140.14393 132.0
[M+HCOO]- 202.14487 155.4
[M+CH3COO]- 216.16052 179.3
[M+Na-2H]- 178.12134 142.5
[M]+ 157.14612 132.8
[M]- 157.14722 132.8
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