CID 55252478

1-methylazetidine-3-carbonitrile

Structural Information

Molecular Formula
C5H8N2
SMILES
CN1CC(C1)C#N
InChI
InChI=1S/C5H8N2/c1-7-3-5(2-6)4-7/h5H,3-4H2,1H3
InChIKey
QGDFRNUIIUDBGQ-UHFFFAOYSA-N
Compound name
1-methylazetidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

96.06875 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 109.6
[M+Na]+ 119.057968 117.9
[M-H]- 95.061474 112.0
[M+NH4]+ 114.102573 123.9
[M+K]+ 135.031908 121.6
[M+H-H2O]+ 79.066010 93.6
[M+HCOO]- 141.066951 127.7
[M+CH3COO]- 155.082601 184.1
[M+Na-2H]- 117.043416 116.8
[M]+ 96.06820142 111.7
[M]- 96.06929858 111.7
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