CID 544234

Ethyl 1-methylcyclopropanecarboxylate

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOC(=O)C1(CC1)C
InChI
InChI=1S/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3
InChIKey
IZPYNZLFBUQGCZ-UHFFFAOYSA-N
Compound name
ethyl 1-methylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

128.08372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.9
[M+Na]+ 151.07294 137.4
[M-H]- 127.07644 133.0
[M+NH4]+ 146.11754 147.2
[M+K]+ 167.04688 137.3
[M+H-H2O]+ 111.08098 123.5
[M+HCOO]- 173.08192 151.0
[M+CH3COO]- 187.09757 175.1
[M+Na-2H]- 149.05839 134.8
[M]+ 128.08317 132.6
[M]- 128.08427 132.6
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

patents stripe