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
4
Annotation Hits

0
References

6063
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.6
[M+Na]+ 152.104588 133.5
[M-H]- 128.108094 130.6
[M+NH4]+ 147.149193 147.8
[M+K]+ 168.078528 134.7
[M+H-H2O]+ 112.112630 122.3
[M+HCOO]- 174.113571 146.4
[M+CH3COO]- 188.129221 171.8
[M+Na-2H]- 150.090036 134.6
[M]+ 129.11482142 125.3
[M]- 129.11591858 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