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

37
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]+ 119.05797 117.9
[M-H]- 95.061474 112.0
[M+NH4]+ 114.10257 123.9
[M+K]+ 135.03191 121.6
[M+H-H2O]+ 79.066010 93.6
[M+HCOO]- 141.06695 127.7
[M+CH3COO]- 155.08260 184.1
[M+Na-2H]- 117.04342 116.8
[M]+ 96.068201 111.7
[M]- 96.069299 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