CID 165675034

2408963-01-7

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]+ 153.09100 129.0
[M+Na]+ 175.07294 143.5
[M-H]- 151.07644 134.3
[M+NH4]+ 170.11754 145.4
[M+K]+ 191.04688 138.3
[M+H-H2O]+ 135.08098 120.2
[M+HCOO]- 197.08192 147.6
[M+CH3COO]- 211.09757 188.7
[M+Na-2H]- 173.05839 134.3
[M]+ 152.08317 129.2
[M]- 152.08427 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.