CID 71757833

Ethyl 2-chloro-2-[(propan-2-yl)imino]acetate

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
CCOC(=O)C(=NC(C)C)Cl
InChI
InChI=1S/C7H12ClNO2/c1-4-11-7(10)6(8)9-5(2)3/h5H,4H2,1-3H3
InChIKey
WICMAXAWPBUEJN-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-2-propan-2-yliminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06293 136.8
[M+Na]+ 200.04487 144.0
[M-H]- 176.04837 138.6
[M+NH4]+ 195.08947 158.3
[M+K]+ 216.01881 143.3
[M+H-H2O]+ 160.05291 132.7
[M+HCOO]- 222.05385 156.3
[M+CH3COO]- 236.06950 184.8
[M+Na-2H]- 198.03032 140.0
[M]+ 177.05510 140.9
[M]- 177.05620 140.9
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.