CID 138040802

2-cyclopropylmorpholine-4-carbonyl chloride

Structural Information

Molecular Formula
C8H12ClNO2
SMILES
C1CC1C2CN(CCO2)C(=O)Cl
InChI
InChI=1S/C8H12ClNO2/c9-8(11)10-3-4-12-7(5-10)6-1-2-6/h6-7H,1-5H2
InChIKey
QWHHMTXITGPMMZ-UHFFFAOYSA-N
Compound name
2-cyclopropylmorpholine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05565 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06293 140.6
[M+Na]+ 212.04487 148.8
[M-H]- 188.04837 146.6
[M+NH4]+ 207.08947 153.4
[M+K]+ 228.01881 146.8
[M+H-H2O]+ 172.05291 133.7
[M+HCOO]- 234.05385 154.4
[M+CH3COO]- 248.06950 182.3
[M+Na-2H]- 210.03032 145.0
[M]+ 189.05510 141.7
[M]- 189.05620 141.7
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

No patent data available for this compound.