CID 14585551

Methyl 3-cyclopropylacrylate

Structural Information

Molecular Formula
C7H10O2
SMILES
COC(=O)/C=C/C1CC1
InChI
InChI=1S/C7H10O2/c1-9-7(8)5-4-6-2-3-6/h4-6H,2-3H2,1H3/b5-4+
InChIKey
IPOOZKZLEDMDSB-SNAWJCMRSA-N
Compound name
methyl (E)-3-cyclopropylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

126.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.6
[M+Na]+ 149.05730 135.9
[M-H]- 125.06080 131.5
[M+NH4]+ 144.10190 144.1
[M+K]+ 165.03124 134.3
[M+H-H2O]+ 109.06534 121.1
[M+HCOO]- 171.06628 150.4
[M+CH3COO]- 185.08193 174.0
[M+Na-2H]- 147.04275 132.6
[M]+ 126.06753 130.2
[M]- 126.06863 130.2
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