CID 53338727

1227917-52-3

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)[C@H]1COCCN1
InChI
InChI=1S/C7H15NO/c1-6(2)7-5-9-4-3-8-7/h6-8H,3-5H2,1-2H3/t7-/m1/s1
InChIKey
ICNOQWMTDGMVGW-SSDOTTSWSA-N
Compound name
(3S)-3-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

129.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.5
[M+Na]+ 152.10459 134.0
[M-H]- 128.10809 130.1
[M+NH4]+ 147.14919 148.0
[M+K]+ 168.07853 134.3
[M+H-H2O]+ 112.11263 123.5
[M+HCOO]- 174.11357 145.9
[M+CH3COO]- 188.12922 169.1
[M+Na-2H]- 150.09004 134.9
[M]+ 129.11482 124.4
[M]- 129.11592 124.4
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