CID 556888

127946-77-4

Structural Information

Molecular Formula
C4H6N2
SMILES
C1CC1(C#N)N
InChI
InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2
InChIKey
UIVATUPCWVUVIM-UHFFFAOYSA-N
Compound name
1-aminocyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1498
Patents

82.0531 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.060376 116.9
[M+Na]+ 105.04232 128.2
[M+NH4]+ 100.08692 124.3
[M+K]+ 121.01626 120.2
[M-H]- 81.045824 118.2
[M+Na-2H]- 103.02777 124.2
[M]+ 82.052551 119.1
[M]- 82.053649 119.1
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

patents stripe