CID 138039777

1,2-diazaspiro[2.3]hex-1-en-5-amine hydrochloride

Structural Information

Molecular Formula
C4H7N3
SMILES
C1C(CC12N=N2)N
InChI
InChI=1S/C4H7N3/c5-3-1-4(2-3)6-7-4/h3H,1-2,5H2
InChIKey
OZTAUFXHBPAJIX-UHFFFAOYSA-N
Compound name
1,2-diazaspiro[2.3]hex-1-en-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

97.063995 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.071271 123.3
[M+Na]+ 120.05321 133.4
[M-H]- 96.056719 127.5
[M+NH4]+ 115.09782 135.0
[M+K]+ 136.02715 134.5
[M+H-H2O]+ 80.061255 112.6
[M+HCOO]- 142.06220 145.4
[M+CH3COO]- 156.07785 174.1
[M+Na-2H]- 118.03866 132.7
[M]+ 97.063446 132.1
[M]- 97.064544 132.1
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

No patent data available for this compound.