CID 556888

1-amino-1-cyclopropanecarbonitrile hydrochloride

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

1835
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 112.1
[M+Na]+ 105.04232 127.9
[M-H]- 81.045824 118.8
[M+NH4]+ 100.08692 132.4
[M+K]+ 121.01626 123.7
[M+H-H2O]+ 65.050360 104.4
[M+HCOO]- 127.05130 135.3
[M+CH3COO]- 141.06695 181.8
[M+Na-2H]- 103.02777 122.5
[M]+ 82.052551 109.7
[M]- 82.053649 109.7
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