CID 79365957

2361634-17-3

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)C1C(CCCO1)N
InChI
InChI=1S/C9H19NO/c1-9(2,3)8-7(10)5-4-6-11-8/h7-8H,4-6,10H2,1-3H3
InChIKey
UMJORDVSCXLEPH-UHFFFAOYSA-N
Compound name
2-tert-butyloxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.1
[M+Na]+ 180.135888 142.1
[M-H]- 156.139394 140.3
[M+NH4]+ 175.180493 156.5
[M+K]+ 196.109828 142.3
[M+H-H2O]+ 140.143930 132.0
[M+HCOO]- 202.144871 155.4
[M+CH3COO]- 216.160521 179.3
[M+Na-2H]- 178.121336 142.5
[M]+ 157.14612142 132.8
[M]- 157.14721858 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