CID 75646

2516-47-4

Structural Information

Molecular Formula
C4H9N
SMILES
C1CC1CN
InChI
InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
InChIKey
IGSKHXTUVXSOMB-UHFFFAOYSA-N
Compound name
cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

15864
Patents

71.0735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 110.9
[M+Na]+ 94.062718 120.1
[M-H]- 70.066224 115.5
[M+NH4]+ 89.107323 130.0
[M+K]+ 110.03666 118.8
[M+H-H2O]+ 54.070760 105.6
[M+HCOO]- 116.07170 136.2
[M+CH3COO]- 130.08735 167.7
[M+Na-2H]- 92.048166 119.1
[M]+ 71.072951 111.0
[M]- 71.074049 111.0
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