CID 11094590

136137-55-8

Structural Information

Molecular Formula
C5H9N
SMILES
C=C1CC(C1)N
InChI
InChI=1S/C5H9N/c1-4-2-5(6)3-4/h5H,1-3,6H2
InChIKey
CCDBTPTWKSVCET-UHFFFAOYSA-N
Compound name
3-methylidenecyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

83.0735 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.3
[M+Na]+ 106.06272 120.6
[M-H]- 82.066224 117.7
[M+NH4]+ 101.10732 131.3
[M+K]+ 122.03666 122.6
[M+H-H2O]+ 66.070760 104.7
[M+HCOO]- 128.07170 137.2
[M+CH3COO]- 142.08735 170.1
[M+Na-2H]- 104.04817 120.2
[M]+ 83.072951 118.8
[M]- 83.074049 118.8
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