CID 165675034

Methyl 2-cyclopropylpent-4-ynoate

Structural Information

Molecular Formula
C9H12O2
SMILES
COC(=O)C(CC#C)C1CC1
InChI
InChI=1S/C9H12O2/c1-3-4-8(7-5-6-7)9(10)11-2/h1,7-8H,4-6H2,2H3
InChIKey
LACOMAPKXSTLIA-UHFFFAOYSA-N
Compound name
methyl 2-cyclopropylpent-4-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 129.0
[M+Na]+ 175.072938 143.5
[M-H]- 151.076444 134.3
[M+NH4]+ 170.117543 145.4
[M+K]+ 191.046878 138.3
[M+H-H2O]+ 135.080980 120.2
[M+HCOO]- 197.081921 147.6
[M+CH3COO]- 211.097571 188.7
[M+Na-2H]- 173.058386 134.3
[M]+ 152.08317142 129.2
[M]- 152.08426858 129.2
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.