CID 90067

4-chloromorpholine

Structural Information

Molecular Formula
C4H8ClNO
SMILES
C1COCCN1Cl
InChI
InChI=1S/C4H8ClNO/c5-6-1-3-7-4-2-6/h1-4H2
InChIKey
ILNGCUVXLQVDTC-UHFFFAOYSA-N
Compound name
4-chloromorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

591
Patents

121.02944 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.036716 120.3
[M+Na]+ 144.018658 127.3
[M-H]- 120.022164 122.4
[M+NH4]+ 139.063263 140.6
[M+K]+ 159.992598 126.9
[M+H-H2O]+ 104.026700 115.0
[M+HCOO]- 166.027641 135.4
[M+CH3COO]- 180.043291 165.8
[M+Na-2H]- 142.004106 128.6
[M]+ 121.02889142 118.3
[M]- 121.02998858 118.3
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