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

36
Patents

126.090546 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 123.3
[M+Na]+ 149.07976 128.4
[M-H]- 125.08327 126.3
[M+NH4]+ 144.12437 144.9
[M+K]+ 165.05370 123.3
[M+H-H2O]+ 109.08781 120.8
[M+HCOO]- 171.08875 151.0
[M+CH3COO]- 185.10440 170.0
[M+Na-2H]- 147.06521 132.8
[M]+ 126.09000 116.2
[M]- 126.09109 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