CID 73998

1004-14-4

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)N1CCOCC1
InChI
InChI=1S/C7H15NO/c1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H3
InChIKey
XLZMWNWNBXSZKF-UHFFFAOYSA-N
Compound name
4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5971
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.6
[M+Na]+ 152.10459 133.5
[M-H]- 128.10809 130.6
[M+NH4]+ 147.14919 147.8
[M+K]+ 168.07853 134.7
[M+H-H2O]+ 112.11263 122.3
[M+HCOO]- 174.11357 146.4
[M+CH3COO]- 188.12922 171.8
[M+Na-2H]- 150.09004 134.6
[M]+ 129.11482 125.3
[M]- 129.11592 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe