CID 53338726

1007112-64-2

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)(C)[C@H]1COCCN1
InChI
InChI=1S/C8H17NO/c1-8(2,3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
YGBCOMFKPPSDAN-SSDOTTSWSA-N
Compound name
(3S)-3-tert-butylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

143.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 133.5
[M+Na]+ 166.120228 138.4
[M-H]- 142.123734 134.2
[M+NH4]+ 161.164833 151.7
[M+K]+ 182.094168 138.4
[M+H-H2O]+ 126.128270 128.0
[M+HCOO]- 188.129211 149.0
[M+CH3COO]- 202.144861 171.0
[M+Na-2H]- 164.105676 140.4
[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