CID 23223454

3-(azidomethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H10N4
SMILES
C1CNCC1CN=[N+]=[N-]
InChI
InChI=1S/C5H10N4/c6-9-8-4-5-1-2-7-3-5/h5,7H,1-4H2
InChIKey
JXYKNUJAOXDKLK-UHFFFAOYSA-N
Compound name
3-(azidomethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

126.090546 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.097822 123.3
[M+Na]+ 149.079764 128.4
[M-H]- 125.083270 126.3
[M+NH4]+ 144.124369 144.9
[M+K]+ 165.053704 123.3
[M+H-H2O]+ 109.087806 120.8
[M+HCOO]- 171.088747 151.0
[M+CH3COO]- 185.104397 170.0
[M+Na-2H]- 147.065212 132.8
[M]+ 126.08999742 116.2
[M]- 126.09109458 116.2
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