CID 2759434

4-(2-isocyanoethyl)morpholine

Structural Information

Molecular Formula
C7H12N2O
SMILES
[C-]#[N+]CCN1CCOCC1
InChI
InChI=1S/C7H12N2O/c1-8-2-3-9-4-6-10-7-5-9/h2-7H2
InChIKey
MFRZPLYKVDHOSN-UHFFFAOYSA-N
Compound name
4-(2-isocyanoethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

624
Patents

140.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.8
[M+Na]+ 163.08418 135.8
[M-H]- 139.08768 129.1
[M+NH4]+ 158.12878 144.7
[M+K]+ 179.05812 130.3
[M+H-H2O]+ 123.09222 120.4
[M+HCOO]- 185.09316 143.8
[M+CH3COO]- 199.10881 176.9
[M+Na-2H]- 161.06963 136.8
[M]+ 140.09441 118.3
[M]- 140.09551 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