CID 68499424

1-(methylamino)cyclopropane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula
C5H8N2
SMILES
CNC1(CC1)C#N
InChI
InChI=1S/C5H8N2/c1-7-5(4-6)2-3-5/h7H,2-3H2,1H3
InChIKey
MTKBHIBTALLJEK-UHFFFAOYSA-N
Compound name
1-(methylamino)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

96.06875 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 115.5
[M+Na]+ 119.057968 131.0
[M-H]- 95.061474 122.5
[M+NH4]+ 114.102573 135.5
[M+K]+ 135.031908 126.9
[M+H-H2O]+ 79.066010 107.6
[M+HCOO]- 141.066951 138.9
[M+CH3COO]- 155.082601 185.0
[M+Na-2H]- 117.043416 126.4
[M]+ 96.06820142 114.3
[M]- 96.06929858 114.3
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