CID 642985

Methyl 2-(cyclopropylmethyl)prop-2-enoate

Structural Information

Molecular Formula
C8H12O2
SMILES
COC(=O)C(=C)CC1CC1
InChI
InChI=1S/C8H12O2/c1-6(8(9)10-2)5-7-3-4-7/h7H,1,3-5H2,2H3
InChIKey
VNQMVNNXQMHOKA-UHFFFAOYSA-N
Compound name
methyl 2-(cyclopropylmethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 130.1
[M+Na]+ 163.072938 138.7
[M-H]- 139.076444 134.8
[M+NH4]+ 158.117543 146.9
[M+K]+ 179.046878 137.2
[M+H-H2O]+ 123.080980 124.5
[M+HCOO]- 185.081921 152.6
[M+CH3COO]- 199.097571 178.4
[M+Na-2H]- 161.058386 134.4
[M]+ 140.08317142 133.5
[M]- 140.08426858 133.5
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