CID 10037

Allene

Structural Information

Molecular Formula
C3H4
SMILES
C=C=C
InChI
InChI=1S/C3H4/c1-3-2/h1-2H2
InChIKey
IYABWNGZIDDRAK-UHFFFAOYSA-N
Compound name
propa-1,2-diene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10562
References

104489
Patents

40.0313 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 41.038576 100.8
[M+Na]+ 63.020518 109.9
[M-H]- 39.024024 101.8
[M+NH4]+ 58.065123 126.6
[M+K]+ 78.994458 109.6
[M+H-H2O]+ 23.028560 97.7
[M+HCOO]- 85.029501 126.0
[M+CH3COO]- 99.045151 156.3
[M+Na-2H]- 61.005966 110.0
[M]+ 40.030751 99.6
[M]- 40.031849 99.6
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