CID 151080

1-methylcyclopropene

Structural Information

Molecular Formula
C4H6
SMILES
CC1=CC1
InChI
InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3
InChIKey
SHDPRTQPPWIEJG-UHFFFAOYSA-N
Compound name
1-methylcyclopropene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

360
References

13580
Patents

54.04695 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 55.054226 105.6
[M+Na]+ 77.036168 116.7
[M-H]- 53.039674 111.2
[M+NH4]+ 72.080773 126.1
[M+K]+ 93.010108 116.0
[M+H-H2O]+ 37.044210 100.7
[M+HCOO]- 99.045151 132.0
[M+CH3COO]- 113.06080 163.7
[M+Na-2H]- 75.021616 115.7
[M]+ 54.046401 108.7
[M]- 54.047499 108.7
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