CID 121552497

3-(azidomethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C4H8N4
SMILES
C1C(CN1)CN=[N+]=[N-]
InChI
InChI=1S/C4H8N4/c5-8-7-3-4-1-6-2-4/h4,6H,1-3H2
InChIKey
SBMPMMCWLNFXAV-UHFFFAOYSA-N
Compound name
3-(azidomethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

112.0749 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 117.5
[M+Na]+ 135.06412 121.9
[M-H]- 111.06762 120.7
[M+NH4]+ 130.10872 131.6
[M+K]+ 151.03806 120.6
[M+H-H2O]+ 95.072160 109.5
[M+HCOO]- 157.07310 144.0
[M+CH3COO]- 171.08875 172.7
[M+Na-2H]- 133.04957 128.2
[M]+ 112.07435 120.3
[M]- 112.07545 120.3
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